2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone

C12H14FNO — CID 798502

IUPAC2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H14FNO/c13-11-5-3-10(4-6-11)9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyRFYBLSAWBUIZOO-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.99
Rot. Bonds2

About 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone

2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 798502) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone
PubChem CID798502
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H14FNO/c13-11-5-3-10(4-6-11)9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyRFYBLSAWBUIZOO-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Methsuximide
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N,N-Diethyl-2-phenylacetamide
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4-Phenyl-2-pyrrolidinone
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1-Benzyl-3-pyrrolidone
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5-Benzylpyrrolidin-2-One
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Spiro-carboxamide scaffold, 13
CID 44143299
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
N,N-Dimethyl-2-phenylacetamide
CID 87853
3-Benzyl-1-cyclohexylpyrrolidin-2-one
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1-(4-Ethylpiperazin-1-yl)-2-phenylethanone
CID 3328378

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone (CID 798502) is 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone is O=C(Cc1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is RFYBLSAWBUIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-5-3-10(4-6-11)9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2.
What are the key properties of 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone?
2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 207.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 798502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).