1-methyl-2-(trifluoromethyl)cyclohexane

C8H13F3 — CID 18711399

IUPAC1-methyl-2-(trifluoromethyl)cyclohexane
SMILESCC1CCCCC1C(F)(F)F
InChIInChI=1S/C8H13F3/c1-6-4-2-3-5-7(6)8(9,10)11/h6-7H,2-5H2,1H3
InChIKeyZLIQEKIEVUDOSV-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.38
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)cyclohexane

1-methyl-2-(trifluoromethyl)cyclohexane (PubChem CID 18711399) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)cyclohexane
PubChem CID18711399
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name1-methyl-2-(trifluoromethyl)cyclohexane
SMILESCC1CCCCC1C(F)(F)F
InChIInChI=1S/C8H13F3/c1-6-4-2-3-5-7(6)8(9,10)11/h6-7H,2-5H2,1H3
InChIKeyZLIQEKIEVUDOSV-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-methyl-2-(trifluoromethyl)cyclohexane (CID 18711399) is 1-methyl-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)cyclohexane is CC1CCCCC1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)cyclohexane?
The InChIKey is ZLIQEKIEVUDOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-6-4-2-3-5-7(6)8(9,10)11/h6-7H,2-5H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)cyclohexane?
1-methyl-2-(trifluoromethyl)cyclohexane has a molecular weight of 166.19 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 18711399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).