3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene

C6H3F8I — CID 15828065

IUPAC3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C6H3F8I/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKeyQZXYRRIBHBIXQN-UHFFFAOYSA-N
MW353.98 g/mol
LogP4.11
Rot. Bonds4

About 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene

3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene (PubChem CID 15828065) has the molecular formula C6H3F8I and a molecular weight of 353.98 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene
PubChem CID15828065
Molecular FormulaC6H3F8I
Molecular Weight353.98 g/mol
Exact Mass353.92
IUPAC Name3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C6H3F8I/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKeyQZXYRRIBHBIXQN-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.98
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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

3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene
CID 88054
1H,2H-Perfluoro-1-iodooct-1-ene
CID 5375714
3,3,4,4-Tetrafluoro-4-iodo-1-butene
CID 118555
(1E)-3,3,4,4,5,5,5-Heptafluoro-1-iodopent-1-ene
CID 5375711
(1E)-3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
CID 5378967
3,3,4,4,5,5,5-Heptafluoro-1-iodo-1-pentene
CID 609138
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-iodooct-1-ene
CID 609162
3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
CID 629495
3,3,4,4,5,5-Hexafluoro-5-iodopent-1-ene
CID 118452981
3,3,4,4,4-Pentafluoro-1-iodo-1-butene
CID 2782555
3,3,4,4-Tetrafluoro-6-iodohex-1-ene
CID 555867
(Z)-2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-iodohept-1-ene
CID 12098942

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene (CID 15828065) is 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene?
The InChIKey is QZXYRRIBHBIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F8I/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2.
What are the key properties of 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene?
3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene has a molecular weight of 353.98 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene is sourced from PubChem (CID 15828065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).