1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane

C9H17F3O2 — CID 59141564

IUPAC1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane
SMILESCCC(C)(COC)COCC(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-4-8(2,5-13-3)6-14-7-9(10,11)12/h4-7H2,1-3H3
InChIKeyFHYUSDLWDGKPSJ-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.63
Rot. Bonds6

About 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane

1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane (PubChem CID 59141564) has the molecular formula C9H17F3O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane.

Molecular Properties

Compound Name1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane
PubChem CID59141564
Molecular FormulaC9H17F3O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane
SMILESCCC(C)(COC)COCC(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-4-8(2,5-13-3)6-14-7-9(10,11)12/h4-7H2,1-3H3
InChIKeyFHYUSDLWDGKPSJ-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane?
The IUPAC name of 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane (CID 59141564) is 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane.
What is the SMILES notation for 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane?
The canonical SMILES for 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane is CCC(C)(COC)COCC(F)(F)F.
What is the InChIKey of 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane?
The InChIKey is FHYUSDLWDGKPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2/c1-4-8(2,5-13-3)6-14-7-9(10,11)12/h4-7H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane?
1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane has a molecular weight of 214.23 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane is sourced from PubChem (CID 59141564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).