4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane

C24H43F3 — CID 19819404

IUPAC4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane
SMILESCCCCCCCC1(C(F)(F)F)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H43F3/c1-3-5-7-8-9-17-23(24(25,26)27)18-15-22(16-19-23)21-13-11-20(12-14-21)10-6-4-2/h20-22H,3-19H2,1-2H3
InChIKeyOJTHQCFSQFUSQZ-UHFFFAOYSA-N
MW388.60 g/mol
LogP9.08
Rot. Bonds10

About 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane

4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane (PubChem CID 19819404) has the molecular formula C24H43F3 and a molecular weight of 388.60 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane
PubChem CID19819404
Molecular FormulaC24H43F3
Molecular Weight388.60 g/mol
Exact Mass388.33
IUPAC Name4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane
SMILESCCCCCCCC1(C(F)(F)F)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H43F3/c1-3-5-7-8-9-17-23(24(25,26)27)18-15-22(16-19-23)21-13-11-20(12-14-21)10-6-4-2/h20-22H,3-19H2,1-2H3
InChIKeyOJTHQCFSQFUSQZ-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 59.08
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-butyl-4-(4-heptylcyclohexyl)-1-(trifluoromethyl)cyclohexane
CID 18597230
1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane
CID 19819398
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 54105459

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane (CID 19819404) is 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane is CCCCCCCC1(C(F)(F)F)CCC(C2CCC(CCCC)CC2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane?
The InChIKey is OJTHQCFSQFUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43F3/c1-3-5-7-8-9-17-23(24(25,26)27)18-15-22(16-19-23)21-13-11-20(12-14-21)10-6-4-2/h20-22H,3-19H2,1-2H3.
What are the key properties of 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane?
4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane has a molecular weight of 388.60 g/mol, XLogP of 9.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 19819404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).