1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene

C29H38F2 — CID 19842832

IUPAC1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
SMILESCCCCCCCCCC1CCC(c2ccc(-c3ccc(C=C(F)F)cc3)cc2)CC1
InChIInChI=1S/C29H38F2/c1-2-3-4-5-6-7-8-9-23-10-14-25(15-11-23)27-18-20-28(21-19-27)26-16-12-24(13-17-26)22-29(30)31/h12-13,16-23,25H,2-11,14-15H2,1H3
InChIKeyHURGSAKGAGOPGB-UHFFFAOYSA-N
MW424.62 g/mol
LogP10.01
Rot. Bonds11

About 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene

1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene (PubChem CID 19842832) has the molecular formula C29H38F2 and a molecular weight of 424.62 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
PubChem CID19842832
Molecular FormulaC29H38F2
Molecular Weight424.62 g/mol
Exact Mass424.29
IUPAC Name1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
SMILESCCCCCCCCCC1CCC(c2ccc(-c3ccc(C=C(F)F)cc3)cc2)CC1
InChIInChI=1S/C29H38F2/c1-2-3-4-5-6-7-8-9-23-10-14-25(15-11-23)27-18-20-28(21-19-27)26-16-12-24(13-17-26)22-29(30)31/h12-13,16-23,25H,2-11,14-15H2,1H3
InChIKeyHURGSAKGAGOPGB-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.62
LogP ≤ 510.01
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-nonylcyclohexyl)benzene
CID 19842787
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
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-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene (CID 19842832) is 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene is CCCCCCCCCC1CCC(c2ccc(-c3ccc(C=C(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene?
The InChIKey is HURGSAKGAGOPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F2/c1-2-3-4-5-6-7-8-9-23-10-14-25(15-11-23)27-18-20-28(21-19-27)26-16-12-24(13-17-26)22-29(30)31/h12-13,16-23,25H,2-11,14-15H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene?
1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene has a molecular weight of 424.62 g/mol, XLogP of 10.01, 11 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-(4-nonylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 19842832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).