2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane

C7H8F8 — CID 90262453

IUPAC2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
SMILESCCC(F)(C(F)(F)F)C(F)(F)C(C)(F)F
InChIInChI=1S/C7H8F8/c1-3-5(10,7(13,14)15)6(11,12)4(2,8)9/h3H2,1-2H3
InChIKeyAGKZZCDCNGBCLV-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.96
Rot. Bonds3

About 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane

2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane (PubChem CID 90262453) has the molecular formula C7H8F8 and a molecular weight of 244.12 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
PubChem CID90262453
Molecular FormulaC7H8F8
Molecular Weight244.12 g/mol
Exact Mass244.05
IUPAC Name2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
SMILESCCC(F)(C(F)(F)F)C(F)(F)C(C)(F)F
InChIInChI=1S/C7H8F8/c1-3-5(10,7(13,14)15)6(11,12)4(2,8)9/h3H2,1-2H3
InChIKeyAGKZZCDCNGBCLV-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane 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 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane?
The IUPAC name of 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane (CID 90262453) is 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane.
What is the SMILES notation for 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane?
The canonical SMILES for 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane is CCC(F)(C(F)(F)F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane?
The InChIKey is AGKZZCDCNGBCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8/c1-3-5(10,7(13,14)15)6(11,12)4(2,8)9/h3H2,1-2H3.
What are the key properties of 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane?
2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane has a molecular weight of 244.12 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane is sourced from PubChem (CID 90262453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).