4,4-difluoro-4-(3-fluorophenyl)butan-2-one

C10H9F3O — CID 105454124

IUPAC4,4-difluoro-4-(3-fluorophenyl)butan-2-one
SMILESCC(=O)CC(F)(F)c1cccc(F)c1
InChIInChI=1S/C10H9F3O/c1-7(14)6-10(12,13)8-3-2-4-9(11)5-8/h2-5H,6H2,1H3
InChIKeyRYONYWJQKLXYCS-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.90
Rot. Bonds3

About 4,4-difluoro-4-(3-fluorophenyl)butan-2-one

4,4-difluoro-4-(3-fluorophenyl)butan-2-one (PubChem CID 105454124) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is 4,4-difluoro-4-(3-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name4,4-difluoro-4-(3-fluorophenyl)butan-2-one
PubChem CID105454124
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name4,4-difluoro-4-(3-fluorophenyl)butan-2-one
SMILESCC(=O)CC(F)(F)c1cccc(F)c1
InChIInChI=1S/C10H9F3O/c1-7(14)6-10(12,13)8-3-2-4-9(11)5-8/h2-5H,6H2,1H3
InChIKeyRYONYWJQKLXYCS-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
4,4-difluoro-4-(3-methylphenyl)butan-2-one
CID 105451355
1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone
CID 70664342
2,3-difluoro-2-(3-fluorophenyl)propanoic acid
CID 175420494
3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid
CID 105465813
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181
3,3-difluoro-3-(3-methylphenyl)propanoic acid;ethane
CID 170751473
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880
methyl 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoate
CID 105483806
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-4-(3-fluorophenyl)butan-2-one?
The IUPAC name of 4,4-difluoro-4-(3-fluorophenyl)butan-2-one (CID 105454124) is 4,4-difluoro-4-(3-fluorophenyl)butan-2-one.
What is the SMILES notation for 4,4-difluoro-4-(3-fluorophenyl)butan-2-one?
The canonical SMILES for 4,4-difluoro-4-(3-fluorophenyl)butan-2-one is CC(=O)CC(F)(F)c1cccc(F)c1.
What is the InChIKey of 4,4-difluoro-4-(3-fluorophenyl)butan-2-one?
The InChIKey is RYONYWJQKLXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-7(14)6-10(12,13)8-3-2-4-9(11)5-8/h2-5H,6H2,1H3.
What are the key properties of 4,4-difluoro-4-(3-fluorophenyl)butan-2-one?
4,4-difluoro-4-(3-fluorophenyl)butan-2-one has a molecular weight of 202.18 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-4-(3-fluorophenyl)butan-2-one is sourced from PubChem (CID 105454124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).