5,5,6,6-tetrafluoro-3-iodohex-1-ene

C6H7F4I — CID 53439037

IUPAC5,5,6,6-tetrafluoro-3-iodohex-1-ene
SMILESC=CC(I)CC(F)(F)C(F)F
InChIInChI=1S/C6H7F4I/c1-2-4(11)3-6(9,10)5(7)8/h2,4-5H,1,3H2
InChIKeyXQWUYCTVDUCISN-UHFFFAOYSA-N
MW282.02 g/mol
LogP3.27
Rot. Bonds4

About 5,5,6,6-tetrafluoro-3-iodohex-1-ene

5,5,6,6-tetrafluoro-3-iodohex-1-ene (PubChem CID 53439037) has the molecular formula C6H7F4I and a molecular weight of 282.02 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-3-iodohex-1-ene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-3-iodohex-1-ene
PubChem CID53439037
Molecular FormulaC6H7F4I
Molecular Weight282.02 g/mol
Exact Mass281.95
IUPAC Name5,5,6,6-tetrafluoro-3-iodohex-1-ene
SMILESC=CC(I)CC(F)(F)C(F)F
InChIInChI=1S/C6H7F4I/c1-2-4(11)3-6(9,10)5(7)8/h2,4-5H,1,3H2
InChIKeyXQWUYCTVDUCISN-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 53.27
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-Octafluoro-6-iodohex-1-ene
CID 15828065
(1E)-3,3,4,4,5,5,5-Heptafluoro-1-iodopent-1-ene
CID 5375711
3,3,4,4,5,5,5-Heptafluoro-1-iodo-1-pentene
CID 609138
4,4,5,6,6,6-Hexafluoro-1-hexene
CID 15134947
3,3,4,4,5,5-Hexafluoro-5-iodopent-1-ene
CID 118452981
4,4,5,5,6,6,6-Heptafluorohex-1-ene
CID 12594163
1,1,2,3,3-Pentafluoro-1,6-heptadiene
CID 129760011
3,3,4,4-Tetrafluoro-6-iodohex-1-ene
CID 555867
7,7,8,8,8-Pentafluoro-5-iodooct-1-ene
CID 14028190
7,7,7-Trifluoro-5-iodohept-1-ene
CID 139658519
3,3,4,4,7,7,8,8,8-Nonafluoro-5-iodooct-1-ene
CID 555242
3,4,4,5,5,6,6-Heptafluorohex-1-ene
CID 17861655

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-3-iodohex-1-ene?
The IUPAC name of 5,5,6,6-tetrafluoro-3-iodohex-1-ene (CID 53439037) is 5,5,6,6-tetrafluoro-3-iodohex-1-ene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-3-iodohex-1-ene?
The canonical SMILES for 5,5,6,6-tetrafluoro-3-iodohex-1-ene is C=CC(I)CC(F)(F)C(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-3-iodohex-1-ene?
The InChIKey is XQWUYCTVDUCISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4I/c1-2-4(11)3-6(9,10)5(7)8/h2,4-5H,1,3H2.
What are the key properties of 5,5,6,6-tetrafluoro-3-iodohex-1-ene?
5,5,6,6-tetrafluoro-3-iodohex-1-ene has a molecular weight of 282.02 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-3-iodohex-1-ene is sourced from PubChem (CID 53439037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).