(E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene

C9H12ClF5 — CID 25181461

IUPAC(E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)CC/C=C/CCCCl
InChIInChI=1S/C9H12ClF5/c10-7-5-3-1-2-4-6-8(11,12)9(13,14)15/h1-2H,3-7H2/b2-1+
InChIKeyWNZJUZVCJCONPH-OWOJBTEDSA-N
MW250.64 g/mol
LogP4.54
Rot. Bonds6

About (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene

(E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene (PubChem CID 25181461) has the molecular formula C9H12ClF5 and a molecular weight of 250.64 g/mol. Its IUPAC name is (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene.

Molecular Properties

Compound Name(E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
PubChem CID25181461
Molecular FormulaC9H12ClF5
Molecular Weight250.64 g/mol
Exact Mass250.05
IUPAC Name(E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)CC/C=C/CCCCl
InChIInChI=1S/C9H12ClF5/c10-7-5-3-1-2-4-6-8(11,12)9(13,14)15/h1-2H,3-7H2/b2-1+
InChIKeyWNZJUZVCJCONPH-OWOJBTEDSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The IUPAC name of (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene (CID 25181461) is (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene.
What is the SMILES notation for (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The canonical SMILES for (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene is FC(F)(F)C(F)(F)CC/C=C/CCCCl.
What is the InChIKey of (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The InChIKey is WNZJUZVCJCONPH-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H12ClF5/c10-7-5-3-1-2-4-6-8(11,12)9(13,14)15/h1-2H,3-7H2/b2-1+.
What are the key properties of (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
(E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene has a molecular weight of 250.64 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene is sourced from PubChem (CID 25181461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).