1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane

C14H23F3O — CID 15002010

IUPAC1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3O/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)18-14(15,16)17/h10-13H,2-9H2,1H3
InChIKeyKYBWBJZSTPXJJJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.91
Rot. Bonds2

About 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane

1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane (PubChem CID 15002010) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
PubChem CID15002010
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3O/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)18-14(15,16)17/h10-13H,2-9H2,1H3
InChIKeyKYBWBJZSTPXJJJ-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]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

(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 556851
1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 118971049
1-Tert-butyl-4-(trifluoromethoxy)cyclohexane
CID 138972410
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2,2-Difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 15376156

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The IUPAC name of 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane (CID 15002010) is 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane is CC1CCC(C2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The InChIKey is KYBWBJZSTPXJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)18-14(15,16)17/h10-13H,2-9H2,1H3.
What are the key properties of 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane has a molecular weight of 264.33 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane is sourced from PubChem (CID 15002010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).