1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene

C24H35F3 — CID 54292273

IUPAC1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
SMILESCCCCCCCC1CCC(c2ccc(C=CCCC(F)(F)F)cc2)CC1
InChIInChI=1S/C24H35F3/c1-2-3-4-5-6-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-7-8-19-24(25,26)27/h7,10,13-14,17-18,20,22H,2-6,8-9,11-12,15-16,19H2,1H3
InChIKeyRYISRMNZQUOPTC-UHFFFAOYSA-N
MW380.54 g/mol
LogP8.68
Rot. Bonds10

About 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene

1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene (PubChem CID 54292273) has the molecular formula C24H35F3 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene.

Molecular Properties

Compound Name1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
PubChem CID54292273
Molecular FormulaC24H35F3
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
SMILESCCCCCCCC1CCC(c2ccc(C=CCCC(F)(F)F)cc2)CC1
InChIInChI=1S/C24H35F3/c1-2-3-4-5-6-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-7-8-19-24(25,26)27/h7,10,13-14,17-18,20,22H,2-6,8-9,11-12,15-16,19H2,1H3
InChIKeyRYISRMNZQUOPTC-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 58.68
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-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015
1-(4-heptylcyclohexyl)-4-(3,3,3-trifluoropropyl)benzene;1-(4-octylcyclohexyl)-4-(3,3,3-trifluoropropyl)benzene
CID 88511829
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene
CID 173068307

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene?
The IUPAC name of 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene (CID 54292273) is 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene.
What is the SMILES notation for 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene?
The canonical SMILES for 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene is CCCCCCCC1CCC(c2ccc(C=CCCC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene?
The InChIKey is RYISRMNZQUOPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3/c1-2-3-4-5-6-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-7-8-19-24(25,26)27/h7,10,13-14,17-18,20,22H,2-6,8-9,11-12,15-16,19H2,1H3.
What are the key properties of 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene?
1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene has a molecular weight of 380.54 g/mol, XLogP of 8.68, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene is sourced from PubChem (CID 54292273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).