ethane;1,1,1,2,2,3-hexafluoropropane

C5H8F6 — CID 143490804

IUPACethane;1,1,1,2,2,3-hexafluoropropane
SMILESCC.FCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F6.C2H6/c4-1-2(5,6)3(7,8)9;1-2/h1H2;1-2H3
InChIKeyCPBZNPQGWRVSJE-UHFFFAOYSA-N
MW182.11 g/mol
LogP3.18
Rot. Bonds1

About ethane;1,1,1,2,2,3-hexafluoropropane

ethane;1,1,1,2,2,3-hexafluoropropane (PubChem CID 143490804) has the molecular formula C5H8F6 and a molecular weight of 182.11 g/mol. Its IUPAC name is ethane;1,1,1,2,2,3-hexafluoropropane.

Molecular Properties

Compound Nameethane;1,1,1,2,2,3-hexafluoropropane
PubChem CID143490804
Molecular FormulaC5H8F6
Molecular Weight182.11 g/mol
Exact Mass182.05
IUPAC Nameethane;1,1,1,2,2,3-hexafluoropropane
SMILESCC.FCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F6.C2H6/c4-1-2(5,6)3(7,8)9;1-2/h1H2;1-2H3
InChIKeyCPBZNPQGWRVSJE-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;1,1,1,2,2,3-hexafluoropropane 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 ethane;1,1,1,2,2,3-hexafluoropropane?
The IUPAC name of ethane;1,1,1,2,2,3-hexafluoropropane (CID 143490804) is ethane;1,1,1,2,2,3-hexafluoropropane.
What is the SMILES notation for ethane;1,1,1,2,2,3-hexafluoropropane?
The canonical SMILES for ethane;1,1,1,2,2,3-hexafluoropropane is CC.FCC(F)(F)C(F)(F)F.
What is the InChIKey of ethane;1,1,1,2,2,3-hexafluoropropane?
The InChIKey is CPBZNPQGWRVSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6.C2H6/c4-1-2(5,6)3(7,8)9;1-2/h1H2;1-2H3.
What are the key properties of ethane;1,1,1,2,2,3-hexafluoropropane?
ethane;1,1,1,2,2,3-hexafluoropropane has a molecular weight of 182.11 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1,2,2,3-hexafluoropropane is sourced from PubChem (CID 143490804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).