1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane

C21H37F3 — CID 19819398

IUPAC1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane
SMILESCCCCCC1(C(F)(F)F)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C21H37F3/c1-3-5-6-14-20(21(22,23)24)15-12-19(13-16-20)18-10-8-17(7-4-2)9-11-18/h17-19H,3-16H2,1-2H3
InChIKeyVVNYWNSEEUYHSG-UHFFFAOYSA-N
MW346.52 g/mol
LogP7.91
Rot. Bonds7

About 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane

1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane (PubChem CID 19819398) has the molecular formula C21H37F3 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane
PubChem CID19819398
Molecular FormulaC21H37F3
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane
SMILESCCCCCC1(C(F)(F)F)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C21H37F3/c1-3-5-6-14-20(21(22,23)24)15-12-19(13-16-20)18-10-8-17(7-4-2)9-11-18/h17-19H,3-16H2,1-2H3
InChIKeyVVNYWNSEEUYHSG-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane
CID 19819404
1-butyl-4-(4-heptylcyclohexyl)-1-(trifluoromethyl)cyclohexane
CID 18597230
1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 18597150
1-methylsulfonyl-1-pentyl-4-(4-propylcyclohexyl)cyclohexane
CID 70488661
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane (CID 19819398) is 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane is CCCCCC1(C(F)(F)F)CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane?
The InChIKey is VVNYWNSEEUYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37F3/c1-3-5-6-14-20(21(22,23)24)15-12-19(13-16-20)18-10-8-17(7-4-2)9-11-18/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane?
1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane has a molecular weight of 346.52 g/mol, XLogP of 7.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 19819398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).