1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene

C9H8Cl2F8 — CID 152666773

IUPAC1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene
SMILESFC(=CCl)C(F)(F)C(F)(F)C(CCCCl)C(F)(F)F
InChIInChI=1S/C9H8Cl2F8/c10-3-1-2-5(9(17,18)19)7(13,14)8(15,16)6(12)4-11/h4-5H,1-3H2
InChIKeyZKRFRERNOALEJA-UHFFFAOYSA-N
MW339.05 g/mol
LogP5.50
Rot. Bonds6

About 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene

1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene (PubChem CID 152666773) has the molecular formula C9H8Cl2F8 and a molecular weight of 339.05 g/mol. Its IUPAC name is 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene.

Molecular Properties

Compound Name1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene
PubChem CID152666773
Molecular FormulaC9H8Cl2F8
Molecular Weight339.05 g/mol
Exact Mass337.99
IUPAC Name1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene
SMILESFC(=CCl)C(F)(F)C(F)(F)C(CCCCl)C(F)(F)F
InChIInChI=1S/C9H8Cl2F8/c10-3-1-2-5(9(17,18)19)7(13,14)8(15,16)6(12)4-11/h4-5H,1-3H2
InChIKeyZKRFRERNOALEJA-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.05
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene?
The IUPAC name of 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene (CID 152666773) is 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene.
What is the SMILES notation for 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene?
The canonical SMILES for 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene is FC(=CCl)C(F)(F)C(F)(F)C(CCCCl)C(F)(F)F.
What is the InChIKey of 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene?
The InChIKey is ZKRFRERNOALEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F8/c10-3-1-2-5(9(17,18)19)7(13,14)8(15,16)6(12)4-11/h4-5H,1-3H2.
What are the key properties of 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene?
1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene has a molecular weight of 339.05 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene is sourced from PubChem (CID 152666773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).