8,8,9,9,9-pentafluoro-1-iodonon-4-ene

C9H12F5I — CID 74432309

IUPAC8,8,9,9,9-pentafluoro-1-iodonon-4-ene
SMILESFC(F)(F)C(F)(F)CCC=CCCCI
InChIInChI=1S/C9H12F5I/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h1-2H,3-7H2
InChIKeyJDAPKHBVVZWNRP-UHFFFAOYSA-N
MW342.09 g/mol
LogP4.74
Rot. Bonds6

About 8,8,9,9,9-pentafluoro-1-iodonon-4-ene

8,8,9,9,9-pentafluoro-1-iodonon-4-ene (PubChem CID 74432309) has the molecular formula C9H12F5I and a molecular weight of 342.09 g/mol. Its IUPAC name is 8,8,9,9,9-pentafluoro-1-iodonon-4-ene.

Molecular Properties

Compound Name8,8,9,9,9-pentafluoro-1-iodonon-4-ene
PubChem CID74432309
Molecular FormulaC9H12F5I
Molecular Weight342.09 g/mol
Exact Mass341.99
IUPAC Name8,8,9,9,9-pentafluoro-1-iodonon-4-ene
SMILESFC(F)(F)C(F)(F)CCC=CCCCI
InChIInChI=1S/C9H12F5I/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h1-2H,3-7H2
InChIKeyJDAPKHBVVZWNRP-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.09
LogP ≤ 54.74
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
CID 25215934
ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
CID 87558922
(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene
CID 90213776
(Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol
CID 102085727
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
(E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene
CID 11133559
9-iodonona-1,5-diene
CID 163737903
1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
12,12,13,13,13-pentafluorotridecanal
CID 14675646
(E)-1,1,1-trifluorodec-4-ene
CID 87295897
10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid
CID 142045753
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-17-iodoheptadecane
CID 15528996

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,9-pentafluoro-1-iodonon-4-ene?
The IUPAC name of 8,8,9,9,9-pentafluoro-1-iodonon-4-ene (CID 74432309) is 8,8,9,9,9-pentafluoro-1-iodonon-4-ene.
What is the SMILES notation for 8,8,9,9,9-pentafluoro-1-iodonon-4-ene?
The canonical SMILES for 8,8,9,9,9-pentafluoro-1-iodonon-4-ene is FC(F)(F)C(F)(F)CCC=CCCCI.
What is the InChIKey of 8,8,9,9,9-pentafluoro-1-iodonon-4-ene?
The InChIKey is JDAPKHBVVZWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5I/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h1-2H,3-7H2.
What are the key properties of 8,8,9,9,9-pentafluoro-1-iodonon-4-ene?
8,8,9,9,9-pentafluoro-1-iodonon-4-ene has a molecular weight of 342.09 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,9-pentafluoro-1-iodonon-4-ene is sourced from PubChem (CID 74432309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).