1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane

C22H37F3O — CID 20810913

IUPAC1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(CCC3CCC(OC(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C22H37F3O/c1-16-2-10-19(11-3-16)20-12-6-17(7-13-20)4-5-18-8-14-21(15-9-18)26-22(23,24)25/h16-21H,2-15H2,1H3
InChIKeyUWPPLYDXEMMVTI-UHFFFAOYSA-N
MW374.53 g/mol
LogP7.49
Rot. Bonds5

About 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane

1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane (PubChem CID 20810913) has the molecular formula C22H37F3O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane
PubChem CID20810913
Molecular FormulaC22H37F3O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC Name1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(CCC3CCC(OC(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C22H37F3O/c1-16-2-10-19(11-3-16)20-12-6-17(7-13-20)4-5-18-8-14-21(15-9-18)26-22(23,24)25/h16-21H,2-15H2,1H3
InChIKeyUWPPLYDXEMMVTI-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane (CID 20810913) is 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane is CC1CCC(C2CCC(CCC3CCC(OC(F)(F)F)CC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The InChIKey is UWPPLYDXEMMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37F3O/c1-16-2-10-19(11-3-16)20-12-6-17(7-13-20)4-5-18-8-14-21(15-9-18)26-22(23,24)25/h16-21H,2-15H2,1H3.
What are the key properties of 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane has a molecular weight of 374.53 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 20810913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).