2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde

C14H16F2O — CID 59915734

IUPAC2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde
SMILESO=CCc1c(F)cc(C2CCCCC2)cc1F
InChIInChI=1S/C14H16F2O/c15-13-8-11(10-4-2-1-3-5-10)9-14(16)12(13)6-7-17/h7-10H,1-6H2
InChIKeyCGWVJPQNKUIOGQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde

2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde (PubChem CID 59915734) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde
PubChem CID59915734
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde
SMILESO=CCc1c(F)cc(C2CCCCC2)cc1F
InChIInChI=1S/C14H16F2O/c15-13-8-11(10-4-2-1-3-5-10)9-14(16)12(13)6-7-17/h7-10H,1-6H2
InChIKeyCGWVJPQNKUIOGQ-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-cyclooctyl-2,6-difluorophenol
CID 151133055
4-cyclohexyl-2,6-difluoroaniline
CID 125450024
1,3,5-tricyclopentylbenzene
CID 611596
4-cyclopropyl-2,6-difluorobenzaldehyde
CID 163302596
4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181
1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
CID 134447912
6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde
CID 137401776
4-cyclododecyl-2-fluorophenol
CID 146306960
1-bromo-4-cyclohexyl-2-fluorobenzene
CID 56992672
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 19039186
3-(3-cycloheptylphenyl)propanal
CID 117332990
1,3,5-tricyclohexyl-2-(disulfanylmethyl)benzene
CID 142309902

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde?
The IUPAC name of 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde (CID 59915734) is 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde?
The canonical SMILES for 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde is O=CCc1c(F)cc(C2CCCCC2)cc1F.
What is the InChIKey of 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde?
The InChIKey is CGWVJPQNKUIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c15-13-8-11(10-4-2-1-3-5-10)9-14(16)12(13)6-7-17/h7-10H,1-6H2.
What are the key properties of 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde?
2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde has a molecular weight of 238.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-2,6-difluorophenyl)acetaldehyde is sourced from PubChem (CID 59915734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).