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1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]piperidin-2-one

1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]piperidin-2-one structure

CAS No:
131899-25-7
Formula:
C18H20F5NO3
Chemical Name:
1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]piperidin-2-one

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1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]piperidin-2-one Basic Attributes

Molecular Weight：

393.34800

Exact Mass：

393.13633431 g/mol

DSSTox ID：

DTXSID80157243

Characteristics

PSA：

49.77000

XLogP3：

3.86410

Density：

1.35g/cm3

Boiling Point：

432.4ºC

Flash Point：

215.3ºC

Refractive Index：

1.499

Vapor Pressure：

3.03E-08mmHg at 25°C

Drug Information

MeSH Entry Terms：

3,4-dihydro-2,2-dimethyl-4-(oxopiperidin-1-yl)-6-pentafluoroethyl-2H-1-benzopyran-3-ol

Computed Properties

Molecular Weight:393.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:393.13633431
Monoisotopic Mass:393.13633431
Topological Polar Surface Area:49.8
Heavy Atom Count:27
Complexity:580
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]piperidin-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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