1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene

C6H5F7 — CID 71429326

IUPAC1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene
SMILESCC(C=C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7/c1-3(5(8,9)10)2-4(7)6(11,12)13/h2-3H,1H3
InChIKeyHHDLUXLBJXTFHQ-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.60
Rot. Bonds1

About 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene

1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene (PubChem CID 71429326) has the molecular formula C6H5F7 and a molecular weight of 210.09 g/mol. Its IUPAC name is 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene.

Molecular Properties

Compound Name1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene
PubChem CID71429326
Molecular FormulaC6H5F7
Molecular Weight210.09 g/mol
Exact Mass210.03
IUPAC Name1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene
SMILESCC(C=C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7/c1-3(5(8,9)10)2-4(7)6(11,12)13/h2-3H,1H3
InChIKeyHHDLUXLBJXTFHQ-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene 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 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene?
The IUPAC name of 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene (CID 71429326) is 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene.
What is the SMILES notation for 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene?
The canonical SMILES for 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene is CC(C=C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene?
The InChIKey is HHDLUXLBJXTFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7/c1-3(5(8,9)10)2-4(7)6(11,12)13/h2-3H,1H3.
What are the key properties of 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene?
1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene has a molecular weight of 210.09 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene is sourced from PubChem (CID 71429326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).