(E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene

C9H8F10O — CID 90262440

IUPAC(E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene
SMILESC/C=C/C(F)(OC(F)(F)C(F)(F)C(C)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F10O/c1-3-4-6(12,8(15,16)17)20-9(18,19)7(13,14)5(2,10)11/h3-4H,1-2H3/b4-3+
InChIKeyGKWTZBQCQPZTFP-ONEGZZNKSA-N
MW322.14 g/mol
LogP4.69
Rot. Bonds5

About (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene

(E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene (PubChem CID 90262440) has the molecular formula C9H8F10O and a molecular weight of 322.14 g/mol. Its IUPAC name is (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene.

Molecular Properties

Compound Name(E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene
PubChem CID90262440
Molecular FormulaC9H8F10O
Molecular Weight322.14 g/mol
Exact Mass322.04
IUPAC Name(E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene
SMILESC/C=C/C(F)(OC(F)(F)C(F)(F)C(C)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F10O/c1-3-4-6(12,8(15,16)17)20-9(18,19)7(13,14)5(2,10)11/h3-4H,1-2H3/b4-3+
InChIKeyGKWTZBQCQPZTFP-ONEGZZNKSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-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 (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene?
The IUPAC name of (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene (CID 90262440) is (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene.
What is the SMILES notation for (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene?
The canonical SMILES for (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene is C/C=C/C(F)(OC(F)(F)C(F)(F)C(C)(F)F)C(F)(F)F.
What is the InChIKey of (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene?
The InChIKey is GKWTZBQCQPZTFP-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H8F10O/c1-3-4-6(12,8(15,16)17)20-9(18,19)7(13,14)5(2,10)11/h3-4H,1-2H3/b4-3+.
What are the key properties of (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene?
(E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene has a molecular weight of 322.14 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene is sourced from PubChem (CID 90262440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).