1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane

C7F12O2 — CID 58017922

IUPAC1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OC(OC(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12O2/c8-1(9)3(12)20-5(6(14,15)16,7(17,18)19)21-4(13)2(10)11
InChIKeyHMOHFVWLUTZCOU-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.91
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane

1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane (PubChem CID 58017922) has the molecular formula C7F12O2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane
PubChem CID58017922
Molecular FormulaC7F12O2
Molecular Weight344.05 g/mol
Exact Mass343.97
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OC(OC(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12O2/c8-1(9)3(12)20-5(6(14,15)16,7(17,18)19)21-4(13)2(10)11
InChIKeyHMOHFVWLUTZCOU-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane 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 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane (CID 58017922) is 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane is FC(F)=C(F)OC(OC(F)=C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane?
The InChIKey is HMOHFVWLUTZCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12O2/c8-1(9)3(12)20-5(6(14,15)16,7(17,18)19)21-4(13)2(10)11.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane?
1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane has a molecular weight of 344.05 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 58017922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).