1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane

C10H16F6O2 — CID 175886376

IUPAC1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane
SMILESCCCCCC(OCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-3-4-5-6-8(9(11,12)13,10(14,15)16)18-7-17-2/h3-7H2,1-2H3
InChIKeyOZPMOUYFXMXVRV-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.05
Rot. Bonds7

About 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane

1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane (PubChem CID 175886376) has the molecular formula C10H16F6O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane
PubChem CID175886376
Molecular FormulaC10H16F6O2
Molecular Weight282.22 g/mol
Exact Mass282.11
IUPAC Name1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane
SMILESCCCCCC(OCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-3-4-5-6-8(9(11,12)13,10(14,15)16)18-7-17-2/h3-7H2,1-2H3
InChIKeyOZPMOUYFXMXVRV-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane 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)-2-(trifluoromethyl)heptane?
The IUPAC name of 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane (CID 175886376) is 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane is CCCCCC(OCOC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane?
The InChIKey is OZPMOUYFXMXVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O2/c1-3-4-5-6-8(9(11,12)13,10(14,15)16)18-7-17-2/h3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane?
1,1,1-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)heptane has a molecular weight of 282.22 g/mol, XLogP of 4.05, 7 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)-2-(trifluoromethyl)heptane is sourced from PubChem (CID 175886376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).