1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one

C15H16FNO — CID 140625392

IUPAC1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one
SMILESCCC(=O)c1cc(C)c(-c2ccc(F)cc2)n1C
InChIInChI=1S/C15H16FNO/c1-4-14(18)13-9-10(2)15(17(13)3)11-5-7-12(16)8-6-11/h5-9H,4H2,1-3H3
InChIKeyWSBYUPWOGCJOEW-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.73
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one

1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one (PubChem CID 140625392) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one
PubChem CID140625392
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one
SMILESCCC(=O)c1cc(C)c(-c2ccc(F)cc2)n1C
InChIInChI=1S/C15H16FNO/c1-4-14(18)13-9-10(2)15(17(13)3)11-5-7-12(16)8-6-11/h5-9H,4H2,1-3H3
InChIKeyWSBYUPWOGCJOEW-UHFFFAOYSA-N
XLogP3.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
ethyl 5-(4-fluorophenyl)-1-propyltriazole-4-carboxylate
CID 103105470
ethyl 1-(2,2-difluoroethyl)-5-(4-fluorophenyl)triazole-4-carboxylate
CID 103105468
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
CID 68709761
1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
CID 174471128
6-(4-fluorophenyl)-1-(hydroxymethyl)-5-methylpyridin-2-one
CID 163951047
ethyl 5-(4-fluorophenyl)-1-(3-hydroxypropyl)triazole-4-carboxylate
CID 103105463
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
CID 174581854
2-chloro-1-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanone
CID 134085993
1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one
CID 174486363
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one (CID 140625392) is 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one is CCC(=O)c1cc(C)c(-c2ccc(F)cc2)n1C.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one?
The InChIKey is WSBYUPWOGCJOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-4-14(18)13-9-10(2)15(17(13)3)11-5-7-12(16)8-6-11/h5-9H,4H2,1-3H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one?
1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one has a molecular weight of 245.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,4-dimethylpyrrol-2-yl]propan-1-one is sourced from PubChem (CID 140625392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).