6-(2,6-difluorophenyl)hexanal

C12H14F2O — CID 87065996

IUPAC6-(2,6-difluorophenyl)hexanal
SMILESO=CCCCCCc1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c13-11-7-5-8-12(14)10(11)6-3-1-2-4-9-15/h5,7-9H,1-4,6H2
InChIKeyLEZNLLDJJQCKKX-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.27
Rot. Bonds6

About 6-(2,6-difluorophenyl)hexanal

6-(2,6-difluorophenyl)hexanal (PubChem CID 87065996) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)hexanal.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)hexanal
PubChem CID87065996
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name6-(2,6-difluorophenyl)hexanal
SMILESO=CCCCCCc1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c13-11-7-5-8-12(14)10(11)6-3-1-2-4-9-15/h5,7-9H,1-4,6H2
InChIKeyLEZNLLDJJQCKKX-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2,6-difluorophenyl)hexanal 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

5-(2,6-dihydroxyphenyl)pentanal
CID 142935696
11-(3,4-difluorophenyl)undecanal
CID 123357909
5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal
CID 153295499
ethane;methanamine;11-phenylundecanal
CID 153398504
5-(3,4-difluorophenyl)pentanal
CID 82255703
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
pentadecanedial
CID 22887412
3-(2,6-dimethylphenyl)propanal
CID 73014071
1-fluoro-2,3-dioctylbenzene
CID 67729666
5-(3-aminophenyl)pentanal
CID 54510654
3-(12-oxododecyl)benzoic acid
CID 87632066

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)hexanal?
The IUPAC name of 6-(2,6-difluorophenyl)hexanal (CID 87065996) is 6-(2,6-difluorophenyl)hexanal.
What is the SMILES notation for 6-(2,6-difluorophenyl)hexanal?
The canonical SMILES for 6-(2,6-difluorophenyl)hexanal is O=CCCCCCc1c(F)cccc1F.
What is the InChIKey of 6-(2,6-difluorophenyl)hexanal?
The InChIKey is LEZNLLDJJQCKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c13-11-7-5-8-12(14)10(11)6-3-1-2-4-9-15/h5,7-9H,1-4,6H2.
What are the key properties of 6-(2,6-difluorophenyl)hexanal?
6-(2,6-difluorophenyl)hexanal has a molecular weight of 212.24 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)hexanal is sourced from PubChem (CID 87065996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).