(E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene

C6H2F9I — CID 5379545

IUPAC(E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene
SMILESFC(F)(F)C(F)(F)C(F)(/C=C/I)C(F)(F)F
InChIInChI=1S/C6H2F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H/b2-1+
InChIKeyJLNNSBACHLCUOY-OWOJBTEDSA-N
MW371.97 g/mol
LogP4.40
Rot. Bonds2

About (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene

(E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene (PubChem CID 5379545) has the molecular formula C6H2F9I and a molecular weight of 371.97 g/mol. Its IUPAC name is (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name(E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene
PubChem CID5379545
Molecular FormulaC6H2F9I
Molecular Weight371.97 g/mol
Exact Mass371.91
IUPAC Name(E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene
SMILESFC(F)(F)C(F)(F)C(F)(/C=C/I)C(F)(F)F
InChIInChI=1S/C6H2F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H/b2-1+
InChIKeyJLNNSBACHLCUOY-OWOJBTEDSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.97
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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
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
3,4,4,4-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
3,4,4,5,5,5-Hexafluoro-3-(trifluoromethyl)pent-1-ene
CID 2775065
3,3,4,4,4-Pentafluoro-1-iodobut-1-ene
CID 5709617
(E)-3,3,4,4-tetrafluoro-1-iodobut-1-ene
CID 21852214
3,3,4,5,5,5-Hexafluoro-4-iodopent-1-ene
CID 21894200

Frequently Asked Questions

What is the IUPAC name of (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene?
The IUPAC name of (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene (CID 5379545) is (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene?
The canonical SMILES for (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene is FC(F)(F)C(F)(F)C(F)(/C=C/I)C(F)(F)F.
What is the InChIKey of (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene?
The InChIKey is JLNNSBACHLCUOY-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H2F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H/b2-1+.
What are the key properties of (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene?
(E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene has a molecular weight of 371.97 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 5379545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).