2-(3,4-difluorophenyl)pentan-3-one

C11H12F2O — CID 79307864

IUPAC2-(3,4-difluorophenyl)pentan-3-one
SMILESCCC(=O)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2O/c1-3-11(14)7(2)8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3
InChIKeyNFMJUENILMVEMS-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.05
Rot. Bonds3

About 2-(3,4-difluorophenyl)pentan-3-one

2-(3,4-difluorophenyl)pentan-3-one (PubChem CID 79307864) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)pentan-3-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)pentan-3-one
PubChem CID79307864
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name2-(3,4-difluorophenyl)pentan-3-one
SMILESCCC(=O)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2O/c1-3-11(14)7(2)8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3
InChIKeyNFMJUENILMVEMS-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)pentan-3-one
CID 79308165
1-(3,4-difluorophenyl)-1-phenylbutan-2-one
CID 167542388
1,1-bis(3,4-difluorophenyl)pentan-3-one
CID 142067469
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
6-(3,4-difluorophenyl)octan-3-one
CID 83936173
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
ethyl 3-(3,4-difluorophenyl)-2-hydroxybutanoate
CID 66287955
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)pentan-3-one?
The IUPAC name of 2-(3,4-difluorophenyl)pentan-3-one (CID 79307864) is 2-(3,4-difluorophenyl)pentan-3-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)pentan-3-one?
The canonical SMILES for 2-(3,4-difluorophenyl)pentan-3-one is CCC(=O)C(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)pentan-3-one?
The InChIKey is NFMJUENILMVEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-3-11(14)7(2)8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)pentan-3-one?
2-(3,4-difluorophenyl)pentan-3-one has a molecular weight of 198.21 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)pentan-3-one is sourced from PubChem (CID 79307864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).