1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene

C23H34F2 — CID 19842787

IUPAC1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
SMILESCCCCCCCCCC1CCC(c2ccc(C=C(F)F)cc2)CC1
InChIInChI=1S/C23H34F2/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(13-17-22)18-23(24)25/h12-13,16-19,21H,2-11,14-15H2,1H3
InChIKeyGDFHPQXFYGVFOC-UHFFFAOYSA-N
MW348.52 g/mol
LogP8.34
Rot. Bonds10

About 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene

1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene (PubChem CID 19842787) has the molecular formula C23H34F2 and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
PubChem CID19842787
Molecular FormulaC23H34F2
Molecular Weight348.52 g/mol
Exact Mass348.26
IUPAC Name1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
SMILESCCCCCCCCCC1CCC(c2ccc(C=C(F)F)cc2)CC1
InChIInChI=1S/C23H34F2/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(13-17-22)18-23(24)25/h12-13,16-19,21H,2-11,14-15H2,1H3
InChIKeyGDFHPQXFYGVFOC-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 19842832
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015
4-[2-[4-[4-(2,2-difluoroethenyl)phenyl]cyclohexyl]ethyl]-1-methyl-1-pentylsilinane
CID 18935830
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene (CID 19842787) is 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene is CCCCCCCCCC1CCC(c2ccc(C=C(F)F)cc2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene?
The InChIKey is GDFHPQXFYGVFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(13-17-22)18-23(24)25/h12-13,16-19,21H,2-11,14-15H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene?
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene has a molecular weight of 348.52 g/mol, XLogP of 8.34, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene is sourced from PubChem (CID 19842787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).