1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

C14H18FNO — CID 10037066

IUPAC1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN1CCCC1)C(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO/c1-11(10-16-8-4-5-9-16)14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyXHMIXRAIVLDWLY-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.74
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 10037066) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID10037066
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN1CCCC1)C(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO/c1-11(10-16-8-4-5-9-16)14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyXHMIXRAIVLDWLY-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996598
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10466963
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 115996621
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1-(4-chloro-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 14071351
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one (CID 10037066) is 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one is CC(CN1CCCC1)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XHMIXRAIVLDWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11(10-16-8-4-5-9-16)14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 235.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 10037066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).