1-[3-(difluoromethyl)phenyl]propan-1-one

C10H10F2O — CID 118813274

IUPAC1-[3-(difluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(C(F)F)c1
InChIInChI=1S/C10H10F2O/c1-2-9(13)7-4-3-5-8(6-7)10(11)12/h3-6,10H,2H2,1H3
InChIKeyBACRKYWLJBIOQH-UHFFFAOYSA-N
MW184.19 g/mol
LogP3.22
Rot. Bonds3

About 1-[3-(difluoromethyl)phenyl]propan-1-one

1-[3-(difluoromethyl)phenyl]propan-1-one (PubChem CID 118813274) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]propan-1-one
PubChem CID118813274
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1-[3-(difluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(C(F)F)c1
InChIInChI=1S/C10H10F2O/c1-2-9(13)7-4-3-5-8(6-7)10(11)12/h3-6,10H,2H2,1H3
InChIKeyBACRKYWLJBIOQH-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

propyl 4-[3-(difluoromethyl)phenyl]-4-oxobutanoate
CID 113329070
4-[3-(difluoromethyl)phenyl]-4-oxobutanenitrile
CID 115527588
3-(difluoromethyl)benzoyl chloride
CID 58552883
1-[3-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]propan-1-one
CID 171874423
4-[3-(difluoromethyl)phenyl]-2,3-dimethyl-4-oxobutanoic acid
CID 113329072
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-[3-(difluoromethyl)-5-ethoxyphenyl]propan-1-one
CID 118813186
1-[4-(difluoromethyl)-2-methylsulfanylphenyl]propan-1-one
CID 118826726
N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide
CID 171883380
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
1-[3-(1,1-difluoroethyl)phenyl]propan-1-one
CID 162577233

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]propan-1-one (CID 118813274) is 1-[3-(difluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]propan-1-one is CCC(=O)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]propan-1-one?
The InChIKey is BACRKYWLJBIOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-2-9(13)7-4-3-5-8(6-7)10(11)12/h3-6,10H,2H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]propan-1-one?
1-[3-(difluoromethyl)phenyl]propan-1-one has a molecular weight of 184.19 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 118813274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).