2,2,2-trifluoroethoxymethylcyclohexane

C9H15F3O — CID 14970149

IUPAC2,2,2-trifluoroethoxymethylcyclohexane
SMILESFC(F)(F)COCC1CCCCC1
InChIInChI=1S/C9H15F3O/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyLIGVBNWSNUSMRI-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.15
Rot. Bonds3

About 2,2,2-trifluoroethoxymethylcyclohexane

2,2,2-trifluoroethoxymethylcyclohexane (PubChem CID 14970149) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethoxymethylcyclohexane.

Molecular Properties

Compound Name2,2,2-trifluoroethoxymethylcyclohexane
PubChem CID14970149
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2,2,2-trifluoroethoxymethylcyclohexane
SMILESFC(F)(F)COCC1CCCCC1
InChIInChI=1S/C9H15F3O/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyLIGVBNWSNUSMRI-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethoxymethylcyclohexane?
The IUPAC name of 2,2,2-trifluoroethoxymethylcyclohexane (CID 14970149) is 2,2,2-trifluoroethoxymethylcyclohexane.
What is the SMILES notation for 2,2,2-trifluoroethoxymethylcyclohexane?
The canonical SMILES for 2,2,2-trifluoroethoxymethylcyclohexane is FC(F)(F)COCC1CCCCC1.
What is the InChIKey of 2,2,2-trifluoroethoxymethylcyclohexane?
The InChIKey is LIGVBNWSNUSMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 2,2,2-trifluoroethoxymethylcyclohexane?
2,2,2-trifluoroethoxymethylcyclohexane has a molecular weight of 196.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethoxymethylcyclohexane is sourced from PubChem (CID 14970149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).