2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene

C6HF9O — CID 57206301

IUPAC2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(=COC(F)=C(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF9O/c7-2(1-16-4(10)3(8)9)5(11,12)6(13,14)15/h1H
InChIKeyNAPLSVHZRADTSP-UHFFFAOYSA-N
MW260.06 g/mol
LogP4.05
Rot. Bonds3

About 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene

2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene (PubChem CID 57206301) has the molecular formula C6HF9O and a molecular weight of 260.06 g/mol. Its IUPAC name is 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene.

Molecular Properties

Compound Name2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
PubChem CID57206301
Molecular FormulaC6HF9O
Molecular Weight260.06 g/mol
Exact Mass259.99
IUPAC Name2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(=COC(F)=C(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF9O/c7-2(1-16-4(10)3(8)9)5(11,12)6(13,14)15/h1H
InChIKeyNAPLSVHZRADTSP-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-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 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The IUPAC name of 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene (CID 57206301) is 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene.
What is the SMILES notation for 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The canonical SMILES for 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene is FC(=COC(F)=C(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The InChIKey is NAPLSVHZRADTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9O/c7-2(1-16-4(10)3(8)9)5(11,12)6(13,14)15/h1H.
What are the key properties of 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene has a molecular weight of 260.06 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene is sourced from PubChem (CID 57206301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).