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

C9H7F2NO — CID 10559362

IUPAC(4S)-3,3-difluoro-4-phenylazetidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C9H7F2NO/c10-9(11)7(12-8(9)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)/t7-/m0/s1
InChIKeyRWHMRWLTDWSYQS-ZETCQYMHSA-N
MW183.16 g/mol
LogP1.49
Rot. Bonds1

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

(4S)-3,3-difluoro-4-phenylazetidin-2-one (PubChem CID 10559362) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is (4S)-3,3-difluoro-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-3,3-difluoro-4-phenylazetidin-2-one
PubChem CID10559362
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name(4S)-3,3-difluoro-4-phenylazetidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C9H7F2NO/c10-9(11)7(12-8(9)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)/t7-/m0/s1
InChIKeyRWHMRWLTDWSYQS-ZETCQYMHSA-N
XLogP1.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-4-phenylazetidin-2-one?
The IUPAC name of (4S)-3,3-difluoro-4-phenylazetidin-2-one (CID 10559362) is (4S)-3,3-difluoro-4-phenylazetidin-2-one.
What is the SMILES notation for (4S)-3,3-difluoro-4-phenylazetidin-2-one?
The canonical SMILES for (4S)-3,3-difluoro-4-phenylazetidin-2-one is O=C1N[C@@H](c2ccccc2)C1(F)F.
What is the InChIKey of (4S)-3,3-difluoro-4-phenylazetidin-2-one?
The InChIKey is RWHMRWLTDWSYQS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-9(11)7(12-8(9)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)/t7-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-4-phenylazetidin-2-one?
(4S)-3,3-difluoro-4-phenylazetidin-2-one has a molecular weight of 183.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-4-phenylazetidin-2-one is sourced from PubChem (CID 10559362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).