3-cyclopropyl-1-(4-fluorophenyl)propan-1-one

C12H13FO — CID 18507946

IUPAC3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FO/c13-11-6-4-10(5-7-11)12(14)8-3-9-1-2-9/h4-7,9H,1-3,8H2
InChIKeyLXHJZWZQICEKID-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.20
Rot. Bonds4

About 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one

3-cyclopropyl-1-(4-fluorophenyl)propan-1-one (PubChem CID 18507946) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
PubChem CID18507946
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FO/c13-11-6-4-10(5-7-11)12(14)8-3-9-1-2-9/h4-7,9H,1-3,8H2
InChIKeyLXHJZWZQICEKID-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one
CID 114978332
4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 64521188
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione
CID 125479846
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
CID 116563485
1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978147
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291308
1-(5-fluoro-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
CID 116563479
3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one
CID 102923156
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one (CID 18507946) is 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one is O=C(CCC1CC1)c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one?
The InChIKey is LXHJZWZQICEKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-11-6-4-10(5-7-11)12(14)8-3-9-1-2-9/h4-7,9H,1-3,8H2.
What are the key properties of 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one?
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one has a molecular weight of 192.23 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 18507946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).