1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone

C12H14FNO — CID 115025139

IUPAC1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(N2CCC(F)C2)c1
InChIInChI=1S/C12H14FNO/c1-9(15)10-3-2-4-12(7-10)14-6-5-11(13)8-14/h2-4,7,11H,5-6,8H2,1H3
InChIKeyJODMNVSKMRZLTD-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.44
Rot. Bonds2

About 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone

1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone (PubChem CID 115025139) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
PubChem CID115025139
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(N2CCC(F)C2)c1
InChIInChI=1S/C12H14FNO/c1-9(15)10-3-2-4-12(7-10)14-6-5-11(13)8-14/h2-4,7,11H,5-6,8H2,1H3
InChIKeyJODMNVSKMRZLTD-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
CID 117004457
1-(3-acetylphenyl)piperidine-3-carbonitrile
CID 117008107
1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
CID 79671280
1-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84785308
1-[3-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanone
CID 76702888
1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone
CID 144853416
1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84793807
1-(3-acetylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025447
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
CID 91526545
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)benzoic acid
CID 102822721
1-(3-acetylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003209

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone (CID 115025139) is 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1cccc(N2CCC(F)C2)c1.
What is the InChIKey of 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is JODMNVSKMRZLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-9(15)10-3-2-4-12(7-10)14-6-5-11(13)8-14/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone?
1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 115025139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).