(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one

C17H15F2NO2 — CID 102156829

IUPAC(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
SMILESO=C1N([C@H](CO)c2ccccc2)[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C17H15F2NO2/c18-17(19)15(13-9-5-2-6-10-13)20(16(17)22)14(11-21)12-7-3-1-4-8-12/h1-10,14-15,21H,11H2/t14-,15+/m1/s1
InChIKeySSBFUIKAQFHWNJ-CABCVRRESA-N
MW303.31 g/mol
LogP2.94
Rot. Bonds4

About (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one

(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one (PubChem CID 102156829) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
PubChem CID102156829
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
SMILESO=C1N([C@H](CO)c2ccccc2)[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C17H15F2NO2/c18-17(19)15(13-9-5-2-6-10-13)20(16(17)22)14(11-21)12-7-3-1-4-8-12/h1-10,14-15,21H,11H2/t14-,15+/m1/s1
InChIKeySSBFUIKAQFHWNJ-CABCVRRESA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 54728530
(3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone
CID 10219589
trans-(1S,2S)-5,5-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenylcyclohexane-1-carboxamide
CID 145979181
(S)-4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide
CID 18758299
4,4-Difluoro-N-((1S)-3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide
CID 9814730
1-Benzyl-3,3-difluoro-4-phenylazetidin-2-one
CID 4129570
1-Benzyl-3,3-difluoro-4-(3-fluorophenyl)azetidin-2-one
CID 4394287
1-[1-(3,4-Difluorobenzyl)-4-piperidyl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
CID 91912881
(3-Hydroxy-3-((S)-1-((S)-2-hydroxy-1-phenylethyl)piperidin-2-YL)azetidin-1-YL)(2,3,4-trifluorophenyl)methanone
CID 73672643
(4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one
CID 7742121
(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 10638141
(3S)-2,2-difluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-phenylpropanoic acid
CID 10782010

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one?
The IUPAC name of (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one (CID 102156829) is (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one.
What is the SMILES notation for (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one?
The canonical SMILES for (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one is O=C1N([C@H](CO)c2ccccc2)[C@@H](c2ccccc2)C1(F)F.
What is the InChIKey of (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one?
The InChIKey is SSBFUIKAQFHWNJ-CABCVRRESA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-17(19)15(13-9-5-2-6-10-13)20(16(17)22)14(11-21)12-7-3-1-4-8-12/h1-10,14-15,21H,11H2/t14-,15+/m1/s1.
What are the key properties of (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one?
(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one has a molecular weight of 303.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 102156829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).