1-methyl-4-(trifluoromethoxy)cyclohexane

C8H13F3O — CID 21137295

IUPAC1-methyl-4-(trifluoromethoxy)cyclohexane
SMILESCC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H13F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h6-7H,2-5H2,1H3
InChIKeyAOVYKGXBLYDVFR-UHFFFAOYSA-N
MW182.18 g/mol
LogP3.10
Rot. Bonds1

About 1-methyl-4-(trifluoromethoxy)cyclohexane

1-methyl-4-(trifluoromethoxy)cyclohexane (PubChem CID 21137295) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethoxy)cyclohexane
PubChem CID21137295
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1-methyl-4-(trifluoromethoxy)cyclohexane
SMILESCC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H13F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h6-7H,2-5H2,1H3
InChIKeyAOVYKGXBLYDVFR-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethoxy)cyclohexane?
The IUPAC name of 1-methyl-4-(trifluoromethoxy)cyclohexane (CID 21137295) is 1-methyl-4-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 1-methyl-4-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 1-methyl-4-(trifluoromethoxy)cyclohexane is CC1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethoxy)cyclohexane?
The InChIKey is AOVYKGXBLYDVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h6-7H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethoxy)cyclohexane?
1-methyl-4-(trifluoromethoxy)cyclohexane has a molecular weight of 182.18 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 21137295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).