1,1,1,5,5,5-hexafluoropenta-2,3-diene

C5H2F6 — CID 10844993

IUPAC1,1,1,5,5,5-hexafluoropenta-2,3-diene
SMILESFC(F)(F)C=C=CC(F)(F)F
InChIInChI=1S/C5H2F6/c6-4(7,8)2-1-3-5(9,10)11/h2-3H
InChIKeyCGJYWLGLLFGXGV-UHFFFAOYSA-N
MW176.06 g/mol
LogP2.82
Rot. Bonds

About 1,1,1,5,5,5-hexafluoropenta-2,3-diene

1,1,1,5,5,5-hexafluoropenta-2,3-diene (PubChem CID 10844993) has the molecular formula C5H2F6 and a molecular weight of 176.06 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoropenta-2,3-diene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoropenta-2,3-diene
PubChem CID10844993
Molecular FormulaC5H2F6
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name1,1,1,5,5,5-hexafluoropenta-2,3-diene
SMILESFC(F)(F)C=C=CC(F)(F)F
InChIInChI=1S/C5H2F6/c6-4(7,8)2-1-3-5(9,10)11/h2-3H
InChIKeyCGJYWLGLLFGXGV-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,1,5,5,5-hexafluoropenta-2,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3,3-Pentafluoropropene
CID 69647
2,3,3,3-Tetrafluoropropene
CID 2776731
Trans-1,3,3,3-tetrafluoropropene
CID 5708720
(2E)-1,1,1,4,4,4-Hexafluoro-2-butene
CID 5708528
cis-1,1,1,4,4,4-Hexafluoro-2-butene
CID 52991879
1,3,3,3-Tetrafluoropropene
CID 2776729
1,2,3,3,3-Pentafluoropropene
CID 111077
1,3,3,3-Tetrafluoropropene, (1Z)-
CID 11116025
1,1-Difluoroethene with 1,1,2,3,3,3-hexafluoro-1-propene (1:1)
CID 16212781
1,1,1,4,4,4-Hexafluoro-2-butene
CID 2774975
(E)-1,2,3,3,3-Pentafluoroprop-1-ene
CID 6329539
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
CID 168318

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoropenta-2,3-diene?
The IUPAC name of 1,1,1,5,5,5-hexafluoropenta-2,3-diene (CID 10844993) is 1,1,1,5,5,5-hexafluoropenta-2,3-diene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoropenta-2,3-diene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoropenta-2,3-diene is FC(F)(F)C=C=CC(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoropenta-2,3-diene?
The InChIKey is CGJYWLGLLFGXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6/c6-4(7,8)2-1-3-5(9,10)11/h2-3H.
What are the key properties of 1,1,1,5,5,5-hexafluoropenta-2,3-diene?
1,1,1,5,5,5-hexafluoropenta-2,3-diene has a molecular weight of 176.06 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoropenta-2,3-diene is sourced from PubChem (CID 10844993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).