(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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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).