1-methoxy-1-(trifluoromethyl)cyclohexane

C8H13F3O — CID 121303563

IUPAC1-methoxy-1-(trifluoromethyl)cyclohexane
SMILESCOC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H13F3O/c1-12-7(8(9,10)11)5-3-2-4-6-7/h2-6H2,1H3
InChIKeyNOIPJQMJMFWVTD-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.90
Rot. Bonds1

About 1-methoxy-1-(trifluoromethyl)cyclohexane

1-methoxy-1-(trifluoromethyl)cyclohexane (PubChem CID 121303563) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-methoxy-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-1-(trifluoromethyl)cyclohexane
PubChem CID121303563
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1-methoxy-1-(trifluoromethyl)cyclohexane
SMILESCOC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H13F3O/c1-12-7(8(9,10)11)5-3-2-4-6-7/h2-6H2,1H3
InChIKeyNOIPJQMJMFWVTD-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-1-(trifluoromethyl)cyclohexane 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

[Difluoro(methoxy)methyl]cyclohexane
CID 14491590
1-Methoxy-1-methylcyclohexane
CID 13111011
1-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638554
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-methylcyclohexane
CID 21638555
1-(Difluoromethoxy)-4-methylcyclohexane
CID 18710872
1-[Difluoro(methoxy)methyl]-4-fluorocyclohexane
CID 18725564
1alpha-Methyl-4alpha-(trifluoromethoxy)cyclohexane
CID 21137295
1,1,2,2,3-Pentafluoro-3-(methoxymethyl)cyclohexane
CID 58107108
1,1-Difluoro-4-(methoxymethyl)cyclohexane
CID 59009675
CID 66889342
CID 66889342
1-(Difluoromethoxy)-2-fluoro-4-methylcyclohexane
CID 67892196
1-(Difluoromethoxy)-1-ethylcyclopentane
CID 69024555

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-methoxy-1-(trifluoromethyl)cyclohexane (CID 121303563) is 1-methoxy-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-methoxy-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-methoxy-1-(trifluoromethyl)cyclohexane is COC1(C(F)(F)F)CCCCC1.
What is the InChIKey of 1-methoxy-1-(trifluoromethyl)cyclohexane?
The InChIKey is NOIPJQMJMFWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-12-7(8(9,10)11)5-3-2-4-6-7/h2-6H2,1H3.
What are the key properties of 1-methoxy-1-(trifluoromethyl)cyclohexane?
1-methoxy-1-(trifluoromethyl)cyclohexane has a molecular weight of 182.18 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 121303563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).