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

C20H27F3O — CID 15002107

IUPAC1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene
SMILESCc1ccc(C2CCC(C3CCC(OC(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C20H27F3O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(13-11-18)24-20(21,22)23/h2-5,16-19H,6-13H2,1H3
InChIKeyOQUDTLULDSIIGB-UHFFFAOYSA-N
MW340.43 g/mol
LogP6.36
Rot. Bonds3

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

1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene (PubChem CID 15002107) has the molecular formula C20H27F3O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene
PubChem CID15002107
Molecular FormulaC20H27F3O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene
SMILESCc1ccc(C2CCC(C3CCC(OC(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C20H27F3O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(13-11-18)24-20(21,22)23/h2-5,16-19H,6-13H2,1H3
InChIKeyOQUDTLULDSIIGB-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene 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-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
2-ethoxy-6-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868846
ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
CID 54304761
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
2-hexyl-6-[4-(4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867836
2-(4-hexylcyclohexyl)-6-(4-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837111
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene (CID 15002107) is 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene is Cc1ccc(C2CCC(C3CCC(OC(F)(F)F)CC3)CC2)cc1.
What is the InChIKey of 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene?
The InChIKey is OQUDTLULDSIIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(13-11-18)24-20(21,22)23/h2-5,16-19H,6-13H2,1H3.
What are the key properties of 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene?
1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene has a molecular weight of 340.43 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 15002107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).