1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane

C15H25F3O — CID 58555704

IUPAC1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane
SMILESCCCC1CCC(C2CCC(OC(F)(F)F)CC2)C1
InChIInChI=1S/C15H25F3O/c1-2-3-11-4-5-13(10-11)12-6-8-14(9-7-12)19-15(16,17)18/h11-14H,2-10H2,1H3
InChIKeySSAYEBQGTPCODQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP5.30
Rot. Bonds4

About 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane

1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane (PubChem CID 58555704) has the molecular formula C15H25F3O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane
PubChem CID58555704
Molecular FormulaC15H25F3O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane
SMILESCCCC1CCC(C2CCC(OC(F)(F)F)CC2)C1
InChIInChI=1S/C15H25F3O/c1-2-3-11-4-5-13(10-11)12-6-8-14(9-7-12)19-15(16,17)18/h11-14H,2-10H2,1H3
InChIKeySSAYEBQGTPCODQ-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.36
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)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

1-Tert-butyl-4-(trifluoromethoxy)cyclohexane
CID 138972410
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026517
1-Methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 19026572
1-(Difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 22375169
2,3-Difluoro-1-methoxy-4-(4-methylcyclohexyl)cyclohexane
CID 57857880
2-Propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane
CID 58555665
1-(3-Propylcyclopentyl)-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 58555819
[3-Cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane
CID 59061002
1-(4-Ethylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 68010127
2-Fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)cyclohexane
CID 68381885

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane?
The IUPAC name of 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane (CID 58555704) is 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane is CCCC1CCC(C2CCC(OC(F)(F)F)CC2)C1.
What is the InChIKey of 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane?
The InChIKey is SSAYEBQGTPCODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O/c1-2-3-11-4-5-13(10-11)12-6-8-14(9-7-12)19-15(16,17)18/h11-14H,2-10H2,1H3.
What are the key properties of 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane?
1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane has a molecular weight of 278.36 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 58555704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).