(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one

C10H9F2NO — CID 67459920

IUPAC(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one
SMILESO=C1CN[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H9F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h1-3,10,13H,4-5H2/t10-/m0/s1
InChIKeyWUARASGCDMQGLD-JTQLQIEISA-N
MW197.18 g/mol
LogP1.57
Rot. Bonds1

About (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one

(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one (PubChem CID 67459920) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one
PubChem CID67459920
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one
SMILESO=C1CN[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H9F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h1-3,10,13H,4-5H2/t10-/m0/s1
InChIKeyWUARASGCDMQGLD-JTQLQIEISA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64665569
5-(4-methylphenyl)pyrrolidin-3-one;hydrochloride
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4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile
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3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one
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1,2-difluoro-4-(2-methylidenecyclopropyl)benzene
CID 123284155
2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 5187034
(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 95999831
cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde
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4-(3,4-difluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 141351500
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CID 101415585

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one?
The IUPAC name of (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one (CID 67459920) is (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one.
What is the SMILES notation for (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one?
The canonical SMILES for (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one is O=C1CN[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one?
The InChIKey is WUARASGCDMQGLD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h1-3,10,13H,4-5H2/t10-/m0/s1.
What are the key properties of (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one?
(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one has a molecular weight of 197.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one is sourced from PubChem (CID 67459920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).