6-(3,4-difluorophenyl)octan-3-one

C14H18F2O — CID 83936173

IUPAC6-(3,4-difluorophenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2O/c1-3-10(5-7-12(17)4-2)11-6-8-13(15)14(16)9-11/h6,8-10H,3-5,7H2,1-2H3
InChIKeyZDCYAZMIBDCORD-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.22
Rot. Bonds6

About 6-(3,4-difluorophenyl)octan-3-one

6-(3,4-difluorophenyl)octan-3-one (PubChem CID 83936173) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)octan-3-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)octan-3-one
PubChem CID83936173
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name6-(3,4-difluorophenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2O/c1-3-10(5-7-12(17)4-2)11-6-8-13(15)14(16)9-11/h6,8-10H,3-5,7H2,1-2H3
InChIKeyZDCYAZMIBDCORD-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-phenyloctan-3-one
CID 83936524
6-(3,4-dipropoxyphenyl)octan-3-one
CID 83931984
1,1-bis(3,4-difluorophenyl)pentan-3-one
CID 142067469
4-decan-3-yl-1,2-difluorobenzene
CID 129157108
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one
CID 83922709
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
1-(4-bromophenyl)-1-(3,4-difluorophenyl)pentan-3-one
CID 58302963
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
1-(3,4-difluorophenyl)pentane-1,3-dione
CID 23234486

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)octan-3-one?
The IUPAC name of 6-(3,4-difluorophenyl)octan-3-one (CID 83936173) is 6-(3,4-difluorophenyl)octan-3-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)octan-3-one?
The canonical SMILES for 6-(3,4-difluorophenyl)octan-3-one is CCC(=O)CCC(CC)c1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)octan-3-one?
The InChIKey is ZDCYAZMIBDCORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-3-10(5-7-12(17)4-2)11-6-8-13(15)14(16)9-11/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 6-(3,4-difluorophenyl)octan-3-one?
6-(3,4-difluorophenyl)octan-3-one has a molecular weight of 240.29 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)octan-3-one is sourced from PubChem (CID 83936173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).