1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane

C9H14F6O2 — CID 123845932

IUPAC1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane
SMILESCCC(C)C(OCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-4-6(2)7(8(10,11)12,9(13,14)15)17-5-16-3/h6H,4-5H2,1-3H3
InChIKeyMLQFGWLVIATRNQ-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.52
Rot. Bonds5

About 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane

1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane (PubChem CID 123845932) has the molecular formula C9H14F6O2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane
PubChem CID123845932
Molecular FormulaC9H14F6O2
Molecular Weight268.20 g/mol
Exact Mass268.09
IUPAC Name1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane
SMILESCCC(C)C(OCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-4-6(2)7(8(10,11)12,9(13,14)15)17-5-16-3/h6H,4-5H2,1-3H3
InChIKeyMLQFGWLVIATRNQ-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane 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 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane (CID 123845932) is 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane is CCC(C)C(OCOC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane?
The InChIKey is MLQFGWLVIATRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O2/c1-4-6(2)7(8(10,11)12,9(13,14)15)17-5-16-3/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane?
1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane has a molecular weight of 268.20 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane is sourced from PubChem (CID 123845932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).