(Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene

C9H12ClF4I — CID 102273461

IUPAC(Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene
SMILESCCCC/C=C(\I)CC(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H12ClF4I/c1-2-3-4-5-7(15)6-8(11,12)9(10,13)14/h5H,2-4,6H2,1H3/b7-5-
InChIKeyGBVJPGGKYKKFJT-ALCCZGGFSA-N
MW358.54 g/mol
LogP5.35
Rot. Bonds6

About (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene

(Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene (PubChem CID 102273461) has the molecular formula C9H12ClF4I and a molecular weight of 358.54 g/mol. Its IUPAC name is (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene.

Molecular Properties

Compound Name(Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene
PubChem CID102273461
Molecular FormulaC9H12ClF4I
Molecular Weight358.54 g/mol
Exact Mass357.96
IUPAC Name(Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene
SMILESCCCC/C=C(\I)CC(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H12ClF4I/c1-2-3-4-5-7(15)6-8(11,12)9(10,13)14/h5H,2-4,6H2,1H3/b7-5-
InChIKeyGBVJPGGKYKKFJT-ALCCZGGFSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.54
LogP ≤ 55.35
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene?
The IUPAC name of (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene (CID 102273461) is (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene.
What is the SMILES notation for (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene?
The canonical SMILES for (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene is CCCC/C=C(\I)CC(F)(F)C(F)(F)Cl.
What is the InChIKey of (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene?
The InChIKey is GBVJPGGKYKKFJT-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H12ClF4I/c1-2-3-4-5-7(15)6-8(11,12)9(10,13)14/h5H,2-4,6H2,1H3/b7-5-.
What are the key properties of (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene?
(Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene has a molecular weight of 358.54 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene is sourced from PubChem (CID 102273461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).