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

C11H21F3O2 — CID 153488158

IUPAC1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane
SMILESCCCCC(C)(COC)COCC(F)(F)F
InChIInChI=1S/C11H21F3O2/c1-4-5-6-10(2,7-15-3)8-16-9-11(12,13)14/h4-9H2,1-3H3
InChIKeyDXVQWYCDMSVMHQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.41
Rot. Bonds8

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

1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane (PubChem CID 153488158) has the molecular formula C11H21F3O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane.

Molecular Properties

Compound Name1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane
PubChem CID153488158
Molecular FormulaC11H21F3O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane
SMILESCCCCC(C)(COC)COCC(F)(F)F
InChIInChI=1S/C11H21F3O2/c1-4-5-6-10(2,7-15-3)8-16-9-11(12,13)14/h4-9H2,1-3H3
InChIKeyDXVQWYCDMSVMHQ-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane?
The IUPAC name of 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane (CID 153488158) is 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane.
What is the SMILES notation for 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane?
The canonical SMILES for 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane is CCCCC(C)(COC)COCC(F)(F)F.
What is the InChIKey of 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane?
The InChIKey is DXVQWYCDMSVMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2/c1-4-5-6-10(2,7-15-3)8-16-9-11(12,13)14/h4-9H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane?
1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)hexane has a molecular weight of 242.28 g/mol, XLogP of 3.41, 8 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)hexane is sourced from PubChem (CID 153488158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).