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

C6H2F9I — CID 97291081

IUPAC(E,3S)-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+/t3-/m0/s1
InChIKeyJLNNSBACHLCUOY-GODVDRNPSA-N
MW371.97 g/mol
LogP4.40
Rot. Bonds2

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

(E,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene (PubChem CID 97291081) has the molecular formula C6H2F9I and a molecular weight of 371.97 g/mol. Its IUPAC name is (E,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name(E,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene
PubChem CID97291081
Molecular FormulaC6H2F9I
Molecular Weight371.97 g/mol
Exact Mass371.91
IUPAC Name(E,3S)-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+/t3-/m0/s1
InChIKeyJLNNSBACHLCUOY-GODVDRNPSA-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

(E)-1,1,1,2,5,6,6,7,7,7-decafluoro-2,5-bis(trifluoromethyl)hept-3-ene
CID 87098662
4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene
CID 160505772
(Z,4S)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol
CID 98047511
(Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene
CID 23234733
3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene
CID 10408905
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908
1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride
CID 162621477

Frequently Asked Questions

What is the IUPAC name of (E,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene?
The IUPAC name of (E,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene (CID 97291081) is (E,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for (E,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene?
The canonical SMILES for (E,3S)-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,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene?
The InChIKey is JLNNSBACHLCUOY-GODVDRNPSA-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+/t3-/m0/s1.
What are the key properties of (E,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene?
(E,3S)-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,3S)-3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 97291081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).