5-(2,3-difluorophenyl)hexan-2-one

C12H14F2O — CID 83925446

IUPAC5-(2,3-difluorophenyl)hexan-2-one
SMILESCC(=O)CCC(C)c1cccc(F)c1F
InChIInChI=1S/C12H14F2O/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h3-5,8H,6-7H2,1-2H3
InChIKeyPSGKHUSJINXYEI-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.44
Rot. Bonds4

About 5-(2,3-difluorophenyl)hexan-2-one

5-(2,3-difluorophenyl)hexan-2-one (PubChem CID 83925446) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)hexan-2-one.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)hexan-2-one
PubChem CID83925446
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(2,3-difluorophenyl)hexan-2-one
SMILESCC(=O)CCC(C)c1cccc(F)c1F
InChIInChI=1S/C12H14F2O/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h3-5,8H,6-7H2,1-2H3
InChIKeyPSGKHUSJINXYEI-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

5-(2,6-difluorophenyl)hexan-2-one
CID 83925322
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
CID 83925488
5-(2-fluoro-4-methylphenyl)hexan-2-one
CID 83925693
5-(2,3-difluorophenyl)hexanal
CID 143562734
5-amino-5-(2-fluorophenyl)pentan-2-one
CID 116940768
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
4-(2,6-difluorophenyl)pentanoic acid
CID 135358255
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid
CID 63667753
4-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 82810773
N-[1-(2,3-difluorophenyl)ethyl]pentanamide
CID 141128931
1,2-difluoro-3-hept-4-yn-2-ylbenzene
CID 83925511
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)hexan-2-one?
The IUPAC name of 5-(2,3-difluorophenyl)hexan-2-one (CID 83925446) is 5-(2,3-difluorophenyl)hexan-2-one.
What is the SMILES notation for 5-(2,3-difluorophenyl)hexan-2-one?
The canonical SMILES for 5-(2,3-difluorophenyl)hexan-2-one is CC(=O)CCC(C)c1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)hexan-2-one?
The InChIKey is PSGKHUSJINXYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 5-(2,3-difluorophenyl)hexan-2-one?
5-(2,3-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-(2,3-difluorophenyl)hexan-2-one is sourced from PubChem (CID 83925446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).