2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one

C10H9F3O — CID 131035867

IUPAC2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
SMILESCc1ccc(F)cc1C(=O)C(C)(F)F
InChIInChI=1S/C10H9F3O/c1-6-3-4-7(11)5-8(6)9(14)10(2,12)13/h3-5H,1-2H3
InChIKeyCKLHHPDXENAADT-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.97
Rot. Bonds2

About 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one

2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one (PubChem CID 131035867) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
PubChem CID131035867
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
SMILESCc1ccc(F)cc1C(=O)C(C)(F)F
InChIInChI=1S/C10H9F3O/c1-6-3-4-7(11)5-8(6)9(14)10(2,12)13/h3-5H,1-2H3
InChIKeyCKLHHPDXENAADT-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
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(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one (CID 131035867) is 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one is Cc1ccc(F)cc1C(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one?
The InChIKey is CKLHHPDXENAADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-6-3-4-7(11)5-8(6)9(14)10(2,12)13/h3-5H,1-2H3.
What are the key properties of 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one?
2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one has a molecular weight of 202.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one is sourced from PubChem (CID 131035867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).