(3S,4S)-3-fluoro-4-phenylazetidin-2-one

C9H8FNO — CID 101430981

IUPAC(3S,4S)-3-fluoro-4-phenylazetidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)[C@@H]1F
InChIInChI=1S/C9H8FNO/c10-7-8(11-9(7)12)6-4-2-1-3-5-6/h1-5,7-8H,(H,11,12)/t7-,8-/m0/s1
InChIKeyYIWIHTWNUFNIPO-YUMQZZPRSA-N
MW165.17 g/mol
LogP1.20
Rot. Bonds1

About (3S,4S)-3-fluoro-4-phenylazetidin-2-one

(3S,4S)-3-fluoro-4-phenylazetidin-2-one (PubChem CID 101430981) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-phenylazetidin-2-one
PubChem CID101430981
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name(3S,4S)-3-fluoro-4-phenylazetidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)[C@@H]1F
InChIInChI=1S/C9H8FNO/c10-7-8(11-9(7)12)6-4-2-1-3-5-6/h1-5,7-8H,(H,11,12)/t7-,8-/m0/s1
InChIKeyYIWIHTWNUFNIPO-YUMQZZPRSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole
CID 45036955
(2R,3R,6S,7R)-3,6-dimethyl-2,7-diphenyl-1,4-diazepan-5-one
CID 15038927
6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 121207256
(5S,6R)-5,6-diphenylpiperazin-2-one
CID 53393309
(2S,3S)-3-fluoro-2-phenylazetidine
CID 118903296
(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one
CID 154993875
(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one
CID 154994053
(3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one
CID 95906850
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-phenylazetidin-2-one?
The IUPAC name of (3S,4S)-3-fluoro-4-phenylazetidin-2-one (CID 101430981) is (3S,4S)-3-fluoro-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-fluoro-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-fluoro-4-phenylazetidin-2-one is O=C1N[C@@H](c2ccccc2)[C@@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-4-phenylazetidin-2-one?
The InChIKey is YIWIHTWNUFNIPO-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H8FNO/c10-7-8(11-9(7)12)6-4-2-1-3-5-6/h1-5,7-8H,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-phenylazetidin-2-one?
(3S,4S)-3-fluoro-4-phenylazetidin-2-one has a molecular weight of 165.17 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-phenylazetidin-2-one is sourced from PubChem (CID 101430981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).