1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one

C14H18FNO — CID 82050231

IUPAC1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1cc(C(=O)CCN2CCCC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-11-10-12(4-5-13(11)15)14(17)6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyMWQNEUPHUQIKLD-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one

1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 82050231) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID82050231
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1cc(C(=O)CCN2CCCC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-11-10-12(4-5-13(11)15)14(17)6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyMWQNEUPHUQIKLD-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
1-[4-(diethylamino)-3-methylphenyl]-3-pyrrolidin-1-ylpropan-1-one
CID 93194130
1-(aziridin-1-yl)-4-(4-fluoro-3-methylphenyl)butane-1,4-dione
CID 82116552
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 3056784
1-(4-fluoro-3-methylphenyl)pent-4-yn-1-one
CID 63656708
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide
CID 67773776
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
CID 110366432

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one (CID 82050231) is 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one is Cc1cc(C(=O)CCN2CCCC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MWQNEUPHUQIKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11-10-12(4-5-13(11)15)14(17)6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one?
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 235.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82050231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).