3,3,4,4-tetrafluoro-6-iodohex-1-ene

C6H7F4I — CID 555867

IUPAC3,3,4,4-tetrafluoro-6-iodohex-1-ene
SMILESC=CC(F)(F)C(F)(F)CCI
InChIInChI=1S/C6H7F4I/c1-2-5(7,8)6(9,10)3-4-11/h2H,1,3-4H2
InChIKeyMJRVFOGEMMUDAM-UHFFFAOYSA-N
MW282.02 g/mol
LogP3.27
Rot. Bonds4

About 3,3,4,4-tetrafluoro-6-iodohex-1-ene

3,3,4,4-tetrafluoro-6-iodohex-1-ene (PubChem CID 555867) has the molecular formula C6H7F4I and a molecular weight of 282.02 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-6-iodohex-1-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-6-iodohex-1-ene
PubChem CID555867
Molecular FormulaC6H7F4I
Molecular Weight282.02 g/mol
Exact Mass281.95
IUPAC Name3,3,4,4-tetrafluoro-6-iodohex-1-ene
SMILESC=CC(F)(F)C(F)(F)CCI
InChIInChI=1S/C6H7F4I/c1-2-5(7,8)6(9,10)3-4-11/h2H,1,3-4H2
InChIKeyMJRVFOGEMMUDAM-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
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
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
3,3,4,4,5,5,6,6-Octafluoro-1-hexene
CID 15828066
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
7,7,7-Trifluoro-5-iodohept-1-ene
CID 139658519
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-1-iodoundeca-3,4-diene
CID 162402157
3,3,4,4,7,7,8,8,8-Nonafluoro-5-iodooct-1-ene
CID 555242

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-6-iodohex-1-ene?
The IUPAC name of 3,3,4,4-tetrafluoro-6-iodohex-1-ene (CID 555867) is 3,3,4,4-tetrafluoro-6-iodohex-1-ene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-6-iodohex-1-ene?
The canonical SMILES for 3,3,4,4-tetrafluoro-6-iodohex-1-ene is C=CC(F)(F)C(F)(F)CCI.
What is the InChIKey of 3,3,4,4-tetrafluoro-6-iodohex-1-ene?
The InChIKey is MJRVFOGEMMUDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4I/c1-2-5(7,8)6(9,10)3-4-11/h2H,1,3-4H2.
What are the key properties of 3,3,4,4-tetrafluoro-6-iodohex-1-ene?
3,3,4,4-tetrafluoro-6-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 3,3,4,4-tetrafluoro-6-iodohex-1-ene is sourced from PubChem (CID 555867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).