1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene

C12H10F12O — CID 141454660

IUPAC1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene
SMILESFC(F)C=CC(F)(CC(F)(F)F)OC(F)(C=CC(F)F)CC(F)(F)F
InChIInChI=1S/C12H10F12O/c13-7(14)1-3-9(17,5-11(19,20)21)25-10(18,4-2-8(15)16)6-12(22,23)24/h1-4,7-8H,5-6H2
InChIKeyWRBPVPKYQDLWOY-UHFFFAOYSA-N
MW398.19 g/mol
LogP5.88
Rot. Bonds8

About 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene

1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene (PubChem CID 141454660) has the molecular formula C12H10F12O and a molecular weight of 398.19 g/mol. Its IUPAC name is 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene.

Molecular Properties

Compound Name1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene
PubChem CID141454660
Molecular FormulaC12H10F12O
Molecular Weight398.19 g/mol
Exact Mass398.05
IUPAC Name1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene
SMILESFC(F)C=CC(F)(CC(F)(F)F)OC(F)(C=CC(F)F)CC(F)(F)F
InChIInChI=1S/C12H10F12O/c13-7(14)1-3-9(17,5-11(19,20)21)25-10(18,4-2-8(15)16)6-12(22,23)24/h1-4,7-8H,5-6H2
InChIKeyWRBPVPKYQDLWOY-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.19
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-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 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene?
The IUPAC name of 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene (CID 141454660) is 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene.
What is the SMILES notation for 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene?
The canonical SMILES for 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene is FC(F)C=CC(F)(CC(F)(F)F)OC(F)(C=CC(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene?
The InChIKey is WRBPVPKYQDLWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F12O/c13-7(14)1-3-9(17,5-11(19,20)21)25-10(18,4-2-8(15)16)6-12(22,23)24/h1-4,7-8H,5-6H2.
What are the key properties of 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene?
1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene has a molecular weight of 398.19 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene is sourced from PubChem (CID 141454660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).