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

C15H25F3 — CID 59015376

IUPAC1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
SMILESCC1CCC(CC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F3/c1-11-2-4-12(5-3-11)10-13-6-8-14(9-7-13)15(16,17)18/h11-14H,2-10H2,1H3
InChIKeyJMKKKLSCIBOGTD-UHFFFAOYSA-N
MW262.36 g/mol
LogP5.57
Rot. Bonds2

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

1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane (PubChem CID 59015376) has the molecular formula C15H25F3 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
PubChem CID59015376
Molecular FormulaC15H25F3
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
SMILESCC1CCC(CC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F3/c1-11-2-4-12(5-3-11)10-13-6-8-14(9-7-13)15(16,17)18/h11-14H,2-10H2,1H3
InChIKeyJMKKKLSCIBOGTD-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.36
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane?
The IUPAC name of 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane (CID 59015376) is 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane is CC1CCC(CC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane?
The InChIKey is JMKKKLSCIBOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3/c1-11-2-4-12(5-3-11)10-13-6-8-14(9-7-13)15(16,17)18/h11-14H,2-10H2,1H3.
What are the key properties of 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane?
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane has a molecular weight of 262.36 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane is sourced from PubChem (CID 59015376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).