5-(2,6-difluorophenyl)hexan-2-one

C12H14F2O — CID 83925322

IUPAC5-(2,6-difluorophenyl)hexan-2-one
SMILESCC(=O)CCC(C)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c1-8(6-7-9(2)15)12-10(13)4-3-5-11(12)14/h3-5,8H,6-7H2,1-2H3
InChIKeyUFTXTYFZPVCERX-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.44
Rot. Bonds4

About 5-(2,6-difluorophenyl)hexan-2-one

5-(2,6-difluorophenyl)hexan-2-one (PubChem CID 83925322) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)hexan-2-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)hexan-2-one
PubChem CID83925322
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(2,6-difluorophenyl)hexan-2-one
SMILESCC(=O)CCC(C)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c1-8(6-7-9(2)15)12-10(13)4-3-5-11(12)14/h3-5,8H,6-7H2,1-2H3
InChIKeyUFTXTYFZPVCERX-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2,6-difluorophenyl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-difluorophenyl)pentanoic acid
CID 135358255
5-(2,3-difluorophenyl)hexan-2-one
CID 83925446
2-(4-bromobutan-2-yl)-1,3-difluorobenzene
CID 83925329
3-(2,6-difluorophenyl)butane-1-thiol
CID 83925324
5-(2-fluoro-4-methylphenyl)hexan-2-one
CID 83925693
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
5-amino-5-(2-fluorophenyl)pentan-2-one
CID 116940768
2-(2,6-difluorophenyl)hexan-3-one
CID 83046956
1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83925405
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
1-tert-butyl-3-fluoro-2-pentan-2-ylbenzene
CID 166767339
1-(2,6-difluorophenyl)ethanol
CID 5012075

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)hexan-2-one?
The IUPAC name of 5-(2,6-difluorophenyl)hexan-2-one (CID 83925322) is 5-(2,6-difluorophenyl)hexan-2-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)hexan-2-one?
The canonical SMILES for 5-(2,6-difluorophenyl)hexan-2-one is CC(=O)CCC(C)c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)hexan-2-one?
The InChIKey is UFTXTYFZPVCERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8(6-7-9(2)15)12-10(13)4-3-5-11(12)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 5-(2,6-difluorophenyl)hexan-2-one?
5-(2,6-difluorophenyl)hexan-2-one has a molecular weight of 212.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)hexan-2-one is sourced from PubChem (CID 83925322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).