1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane

C10H19F3O2 — CID 19985300

IUPAC1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane
SMILESCOCC(COC)(CC(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-8(2)5-9(6-14-3,7-15-4)10(11,12)13/h8H,5-7H2,1-4H3
InChIKeyDTWTUTRXBBRMHX-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.87
Rot. Bonds6

About 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane

1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane (PubChem CID 19985300) has the molecular formula C10H19F3O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane
PubChem CID19985300
Molecular FormulaC10H19F3O2
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane
SMILESCOCC(COC)(CC(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-8(2)5-9(6-14-3,7-15-4)10(11,12)13/h8H,5-7H2,1-4H3
InChIKeyDTWTUTRXBBRMHX-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane 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-2,2-bis(methoxymethyl)-4-methylpentane?
The IUPAC name of 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane (CID 19985300) is 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane.
What is the SMILES notation for 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane?
The canonical SMILES for 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane is COCC(COC)(CC(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane?
The InChIKey is DTWTUTRXBBRMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2/c1-8(2)5-9(6-14-3,7-15-4)10(11,12)13/h8H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane?
1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane has a molecular weight of 228.25 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2-bis(methoxymethyl)-4-methylpentane is sourced from PubChem (CID 19985300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).