(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one

C10H10FNO — CID 14984605

IUPAC(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
SMILESCN1C(=O)[C@H](F)[C@H]1c1ccccc1
InChIInChI=1S/C10H10FNO/c1-12-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,1H3/t8-,9-/m1/s1
InChIKeyJXOYGCCNFKEQCA-RKDXNWHRSA-N
MW179.19 g/mol
LogP1.54
Rot. Bonds1

About (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one

(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one (PubChem CID 14984605) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
PubChem CID14984605
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
SMILESCN1C(=O)[C@H](F)[C@H]1c1ccccc1
InChIInChI=1S/C10H10FNO/c1-12-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,1H3/t8-,9-/m1/s1
InChIKeyJXOYGCCNFKEQCA-RKDXNWHRSA-N
XLogP1.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
(2S,3R,4R)-4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 122155387
(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one
CID 165354910
(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one
CID 122372877
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
(4S,5S)-1-methyl-4,5-diphenylimidazolidin-2-one
CID 11831915
3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one
CID 174527586
2-methyl-1,3,5-triphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 15019688
4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
CID 101419326
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728
4,8,9,10-tetraphenyl-1,3-diazatricyclo[5.1.1.13,5]decan-6-one
CID 2829339

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one (CID 14984605) is (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one is CN1C(=O)[C@H](F)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one?
The InChIKey is JXOYGCCNFKEQCA-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H10FNO/c1-12-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,1H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one?
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one is sourced from PubChem (CID 14984605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).