1-chloro-8,8,9,9,9-pentafluoronon-4-ene

C9H12ClF5 — CID 74400647

IUPAC1-chloro-8,8,9,9,9-pentafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)CCC=CCCCCl
InChIInChI=1S/C9H12ClF5/c10-7-5-3-1-2-4-6-8(11,12)9(13,14)15/h1-2H,3-7H2
InChIKeyWNZJUZVCJCONPH-UHFFFAOYSA-N
MW250.64 g/mol
LogP4.54
Rot. Bonds6

About 1-chloro-8,8,9,9,9-pentafluoronon-4-ene

1-chloro-8,8,9,9,9-pentafluoronon-4-ene (PubChem CID 74400647) has the molecular formula C9H12ClF5 and a molecular weight of 250.64 g/mol. Its IUPAC name is 1-chloro-8,8,9,9,9-pentafluoronon-4-ene.

Molecular Properties

Compound Name1-chloro-8,8,9,9,9-pentafluoronon-4-ene
PubChem CID74400647
Molecular FormulaC9H12ClF5
Molecular Weight250.64 g/mol
Exact Mass250.05
IUPAC Name1-chloro-8,8,9,9,9-pentafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)CCC=CCCCCl
InChIInChI=1S/C9H12ClF5/c10-7-5-3-1-2-4-6-8(11,12)9(13,14)15/h1-2H,3-7H2
InChIKeyWNZJUZVCJCONPH-UHFFFAOYSA-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 1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The IUPAC name of 1-chloro-8,8,9,9,9-pentafluoronon-4-ene (CID 74400647) is 1-chloro-8,8,9,9,9-pentafluoronon-4-ene.
What is the SMILES notation for 1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The canonical SMILES for 1-chloro-8,8,9,9,9-pentafluoronon-4-ene is FC(F)(F)C(F)(F)CCC=CCCCCl.
What is the InChIKey of 1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The InChIKey is WNZJUZVCJCONPH-UHFFFAOYSA-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.
What are the key properties of 1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
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 1-chloro-8,8,9,9,9-pentafluoronon-4-ene is sourced from PubChem (CID 74400647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).