1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one

C10H9F3O — CID 126971228

IUPAC1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
SMILESCCC(=O)c1cccc(C(F)F)c1F
InChIInChI=1S/C10H9F3O/c1-2-8(14)6-4-3-5-7(9(6)11)10(12)13/h3-5,10H,2H2,1H3
InChIKeySRZHDRLZEMQTOG-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.36
Rot. Bonds3

About 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one

1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one (PubChem CID 126971228) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
PubChem CID126971228
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
SMILESCCC(=O)c1cccc(C(F)F)c1F
InChIInChI=1S/C10H9F3O/c1-2-8(14)6-4-3-5-7(9(6)11)10(12)13/h3-5,10H,2H2,1H3
InChIKeySRZHDRLZEMQTOG-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
methyl 2-fluoro-3-propanoylbenzoate
CID 178189126
1-(2-methyl-3-sulfanylphenyl)propan-1-one
CID 131052001
1-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propan-1-one
CID 134617274
1-(3-fluoro-2-iodophenyl)propan-1-one
CID 118798307
1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid
CID 165489781
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
2-bromo-1-[2-(difluoromethyl)phenyl]ethanone
CID 177183939
1-[2-(bromomethyl)-3-methylsulfanylphenyl]propan-1-one
CID 131382106

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one?
The IUPAC name of 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one (CID 126971228) is 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one?
The canonical SMILES for 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one is CCC(=O)c1cccc(C(F)F)c1F.
What is the InChIKey of 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one?
The InChIKey is SRZHDRLZEMQTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-2-8(14)6-4-3-5-7(9(6)11)10(12)13/h3-5,10H,2H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one?
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one has a molecular weight of 202.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one is sourced from PubChem (CID 126971228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).