1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one

C11H11F3O — CID 84681626

IUPAC1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(C(C)F)cc(F)c1F
InChIInChI=1S/C11H11F3O/c1-6(15)3-9-4-8(7(2)12)5-10(13)11(9)14/h4-5,7H,3H2,1-2H3
InChIKeyBMBQVNLCKFVPDD-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.13
Rot. Bonds3

About 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one

1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one (PubChem CID 84681626) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one
PubChem CID84681626
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(C(C)F)cc(F)c1F
InChIInChI=1S/C11H11F3O/c1-6(15)3-9-4-8(7(2)12)5-10(13)11(9)14/h4-5,7H,3H2,1-2H3
InChIKeyBMBQVNLCKFVPDD-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2,3-difluoro-5-(1-fluoroethyl)phenyl]butan-1-amine
CID 117334201
3-[2,3-difluoro-5-(1-fluoroethyl)phenyl]-3-methylbutanoic acid
CID 117404445
1-(3-bromo-2,4,5-trifluorophenyl)propan-2-one
CID 117115023
3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid
CID 117378292
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
1-[3-(1-fluoroethyl)phenyl]propan-2-one
CID 84657401
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117362075
1-[4-(difluoromethyl)-2-methylsulfanylphenyl]propan-2-one
CID 166641045
2,3,6-trifluoro-4-(2-oxopropyl)benzoic acid
CID 117335713
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanal
CID 117328595
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one?
The IUPAC name of 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one (CID 84681626) is 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one is CC(=O)Cc1cc(C(C)F)cc(F)c1F.
What is the InChIKey of 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one?
The InChIKey is BMBQVNLCKFVPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-6(15)3-9-4-8(7(2)12)5-10(13)11(9)14/h4-5,7H,3H2,1-2H3.
What are the key properties of 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one?
1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one has a molecular weight of 216.20 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one is sourced from PubChem (CID 84681626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).