2-(2,6-difluorophenyl)hexan-3-one

C12H14F2O — CID 83046956

IUPAC2-(2,6-difluorophenyl)hexan-3-one
SMILESCCCC(=O)C(C)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c1-3-5-11(15)8(2)12-9(13)6-4-7-10(12)14/h4,6-8H,3,5H2,1-2H3
InChIKeyAFAPEBLSJAAZAH-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.44
Rot. Bonds4

About 2-(2,6-difluorophenyl)hexan-3-one

2-(2,6-difluorophenyl)hexan-3-one (PubChem CID 83046956) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)hexan-3-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)hexan-3-one
PubChem CID83046956
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(2,6-difluorophenyl)hexan-3-one
SMILESCCCC(=O)C(C)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c1-3-5-11(15)8(2)12-9(13)6-4-7-10(12)14/h4,6-8H,3,5H2,1-2H3
InChIKeyAFAPEBLSJAAZAH-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

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Related Compounds

1-(2,6-difluorophenyl)-1-propoxypentan-2-one
CID 83226006
5-(2,6-difluorophenyl)hexan-2-one
CID 83925322
4-(2,6-difluorophenyl)pentanoic acid
CID 135358255
2-(4-methylphenyl)hexan-3-one
CID 83047098
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
CID 54960329
ethyl 2-[(2,6-difluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62398794
2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
CID 62226069
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
5-[2-(2,6-difluorophenyl)propanoyl-methylamino]pentanoic acid
CID 146145494
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(2,6-difluorophenyl)hexane-1,3-dione
CID 61393364

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)hexan-3-one?
The IUPAC name of 2-(2,6-difluorophenyl)hexan-3-one (CID 83046956) is 2-(2,6-difluorophenyl)hexan-3-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)hexan-3-one?
The canonical SMILES for 2-(2,6-difluorophenyl)hexan-3-one is CCCC(=O)C(C)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)hexan-3-one?
The InChIKey is AFAPEBLSJAAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-3-5-11(15)8(2)12-9(13)6-4-7-10(12)14/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)hexan-3-one?
2-(2,6-difluorophenyl)hexan-3-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 2-(2,6-difluorophenyl)hexan-3-one is sourced from PubChem (CID 83046956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).