1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one

C15H20F2O — CID 82984112

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cc(F)c(C)cc1F
InChIInChI=1S/C15H20F2O/c1-4-6-11(7-5-2)15(18)12-9-13(16)10(3)8-14(12)17/h8-9,11H,4-7H2,1-3H3
InChIKeyVXHGQHLYTSZWPD-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.67
Rot. Bonds6

About 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one

1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one (PubChem CID 82984112) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one
PubChem CID82984112
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cc(F)c(C)cc1F
InChIInChI=1S/C15H20F2O/c1-4-6-11(7-5-2)15(18)12-9-13(16)10(3)8-14(12)17/h8-9,11H,4-7H2,1-3H3
InChIKeyVXHGQHLYTSZWPD-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one
CID 107129986
1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
CID 115797809
1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309423
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one
CID 146008841
1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one
CID 15072612
N-(1-cyanobutyl)-2,4-difluoro-5-methylbenzamide
CID 113249764
2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
CID 106883040
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
CID 103454045
1-(2-methylthiophen-3-yl)-2-propylpentan-1-one
CID 102839853
2-(4-chloro-2,5-difluorobenzoyl)pentanenitrile
CID 82771599
1-(2-ethylphenyl)-2-propylpentan-1-one
CID 146006581

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one (CID 82984112) is 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1cc(F)c(C)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one?
The InChIKey is VXHGQHLYTSZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-4-6-11(7-5-2)15(18)12-9-13(16)10(3)8-14(12)17/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one?
1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one has a molecular weight of 254.32 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one is sourced from PubChem (CID 82984112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).