(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane

C15H25F3 — CID 59912966

IUPAC(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
SMILESCC1CCC(C2CC[C@H](C)C(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(9-13)15(16,17)18/h10-14H,3-9H2,1-2H3/t10?,11-,12?,13?,14?/m0/s1
InChIKeyLWCLYBRSJJVCTF-VJGVLAAASA-N
MW262.36 g/mol
LogP5.43
Rot. Bonds1

About (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane

(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane (PubChem CID 59912966) has the molecular formula C15H25F3 and a molecular weight of 262.36 g/mol. Its IUPAC name is (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
PubChem CID59912966
Molecular FormulaC15H25F3
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
SMILESCC1CCC(C2CC[C@H](C)C(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(9-13)15(16,17)18/h10-14H,3-9H2,1-2H3/t10?,11-,12?,13?,14?/m0/s1
InChIKeyLWCLYBRSJJVCTF-VJGVLAAASA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.36
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane
CID 155313115
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-methyl-2-(trifluoromethyl)cyclohexane
CID 18711399
2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane
CID 142421434
1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 142624044
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
1-fluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 126548134
2-methyl-4-(trifluoromethyl)bicyclo[3.1.1]heptane
CID 123465196
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane?
The IUPAC name of (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane (CID 59912966) is (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane is CC1CCC(C2CC[C@H](C)C(C(F)(F)F)C2)CC1.
What is the InChIKey of (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane?
The InChIKey is LWCLYBRSJJVCTF-VJGVLAAASA-N. The full InChI is InChI=1S/C15H25F3/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(9-13)15(16,17)18/h10-14H,3-9H2,1-2H3/t10?,11-,12?,13?,14?/m0/s1.
What are the key properties of (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane?
(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane has a molecular weight of 262.36 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 59912966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).