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

C18H17F2NO3 — CID 101444189

IUPAC(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one
SMILESCO[C@@](CO)(c1ccccc1)N1C(=O)C(F)(F)[C@@H]1c1ccccc1
InChIInChI=1S/C18H17F2NO3/c1-24-17(12-22,14-10-6-3-7-11-14)21-15(18(19,20)16(21)23)13-8-4-2-5-9-13/h2-11,15,22H,12H2,1H3/t15-,17-/m0/s1
InChIKeyKBDVDVDWVICHPX-RDJZCZTQSA-N
MW333.33 g/mol
LogP2.70
Rot. Bonds5

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

(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one (PubChem CID 101444189) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one
PubChem CID101444189
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one
SMILESCO[C@@](CO)(c1ccccc1)N1C(=O)C(F)(F)[C@@H]1c1ccccc1
InChIInChI=1S/C18H17F2NO3/c1-24-17(12-22,14-10-6-3-7-11-14)21-15(18(19,20)16(21)23)13-8-4-2-5-9-13/h2-11,15,22H,12H2,1H3/t15-,17-/m0/s1
InChIKeyKBDVDVDWVICHPX-RDJZCZTQSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one with MolForge

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Related Compounds

(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 10638141
(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 15357555
(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 102156829
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 134917856
(3S,4S)-3-hydroxy-4-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 390826
(3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 102376897
(3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 12968361
(3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 54493647
(3R,4S)-3-hydroxy-1-[(1S)-1-phenylethyl]-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 54538100

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one?
The IUPAC name of (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one (CID 101444189) is (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one.
What is the SMILES notation for (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one?
The canonical SMILES for (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one is CO[C@@](CO)(c1ccccc1)N1C(=O)C(F)(F)[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one?
The InChIKey is KBDVDVDWVICHPX-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-24-17(12-22,14-10-6-3-7-11-14)21-15(18(19,20)16(21)23)13-8-4-2-5-9-13/h2-11,15,22H,12H2,1H3/t15-,17-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one?
(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one has a molecular weight of 333.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-methoxy-1-phenylethyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 101444189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).