3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one

C13H15FO — CID 114978262

IUPAC3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCC2CC2)c(F)c1
InChIInChI=1S/C13H15FO/c1-9-2-6-11(12(14)8-9)13(15)7-5-10-3-4-10/h2,6,8,10H,3-5,7H2,1H3
InChIKeyOYXBFPZCQISUAP-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.51
Rot. Bonds4

About 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one

3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one (PubChem CID 114978262) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
PubChem CID114978262
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCC2CC2)c(F)c1
InChIInChI=1S/C13H15FO/c1-9-2-6-11(12(14)8-9)13(15)7-5-10-3-4-10/h2,6,8,10H,3-5,7H2,1H3
InChIKeyOYXBFPZCQISUAP-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 114970802
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CID 106865007
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 22068232
1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540
5-bromo-1-(2-fluoro-4-methylphenyl)pentan-1-one
CID 146010026
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 144525769
1-(2-fluoro-4-methylphenyl)-4-pyrrolidin-1-ylbutan-1-one
CID 58514896
N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide
CID 84586316
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one (CID 114978262) is 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCC2CC2)c(F)c1.
What is the InChIKey of 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one?
The InChIKey is OYXBFPZCQISUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-9-2-6-11(12(14)8-9)13(15)7-5-10-3-4-10/h2,6,8,10H,3-5,7H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one?
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one has a molecular weight of 206.26 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one is sourced from PubChem (CID 114978262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).