1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone

C13H16FNO2 — CID 118220649

IUPAC1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc(CO)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-9(17)15-6-2-3-13(15)10-4-5-11(8-16)12(14)7-10/h4-5,7,13,16H,2-3,6,8H2,1H3
InChIKeyGMCZYOOLHQXSSI-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.00
Rot. Bonds2

About 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone

1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone (PubChem CID 118220649) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone
PubChem CID118220649
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc(CO)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-9(17)15-6-2-3-13(15)10-4-5-11(8-16)12(14)7-10/h4-5,7,13,16H,2-3,6,8H2,1H3
InChIKeyGMCZYOOLHQXSSI-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 43033918
1-[2-[4-(chloromethyl)-2,3-difluorophenyl]pyrrolidin-1-yl]ethanone
CID 118220555
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
2-(4-cyano-3-fluorophenyl)pyrrolidine-1-carboxylic acid
CID 126482568
tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate
CID 83404783
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone
CID 59291060
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(3,4-difluorophenyl)pyrrolidin-1-yl]ethanone
CID 97051508
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
2-fluoro-4-(1-phenylmethoxycarbonylpyrrolidin-2-yl)benzoic acid
CID 66621304
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone (CID 118220649) is 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1ccc(CO)c(F)c1.
What is the InChIKey of 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GMCZYOOLHQXSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(17)15-6-2-3-13(15)10-4-5-11(8-16)12(14)7-10/h4-5,7,13,16H,2-3,6,8H2,1H3.
What are the key properties of 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone?
1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone has a molecular weight of 237.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118220649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).