1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane

C9H15F3O — CID 21137277

IUPAC1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
SMILESCC1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-7-2-4-8(5-3-7)13-6-9(10,11)12/h7-8H,2-6H2,1H3
InChIKeyTVDYTGXGKAQBSF-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.14
Rot. Bonds2

About 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane

1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane (PubChem CID 21137277) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
PubChem CID21137277
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
SMILESCC1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-7-2-4-8(5-3-7)13-6-9(10,11)12/h7-8H,2-6H2,1H3
InChIKeyTVDYTGXGKAQBSF-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-(2,2,2-trifluoroethoxy)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

2,2,2-trifluoroethoxycycloheptane
CID 148866146
2-methyl-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 64747965
1-(3-bromo-2,2-dimethylpropoxy)-4-methylcyclohexane
CID 64994565
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 67483352
N-ethyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79642881
3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
CID 130481076
1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
CID 66345295
3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid
CID 103372243
1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 91179780
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711561

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane?
The IUPAC name of 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane (CID 21137277) is 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane.
What is the SMILES notation for 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane?
The canonical SMILES for 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane is CC1CCC(OCC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane?
The InChIKey is TVDYTGXGKAQBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-7-2-4-8(5-3-7)13-6-9(10,11)12/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane?
1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane has a molecular weight of 196.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane is sourced from PubChem (CID 21137277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).