(Z)-1,1,1-trifluoro-4-iodooct-3-ene

C8H12F3I — CID 15416702

IUPAC(Z)-1,1,1-trifluoro-4-iodooct-3-ene
SMILESCCCC/C(I)=C/CC(F)(F)F
InChIInChI=1S/C8H12F3I/c1-2-3-4-7(12)5-6-8(9,10)11/h5H,2-4,6H2,1H3/b7-5-
InChIKeyLGQKGTGAMAUMDY-ALCCZGGFSA-N
MW292.08 g/mol
LogP4.45
Rot. Bonds4

About (Z)-1,1,1-trifluoro-4-iodooct-3-ene

(Z)-1,1,1-trifluoro-4-iodooct-3-ene (PubChem CID 15416702) has the molecular formula C8H12F3I and a molecular weight of 292.08 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-iodooct-3-ene.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-iodooct-3-ene
PubChem CID15416702
Molecular FormulaC8H12F3I
Molecular Weight292.08 g/mol
Exact Mass291.99
IUPAC Name(Z)-1,1,1-trifluoro-4-iodooct-3-ene
SMILESCCCC/C(I)=C/CC(F)(F)F
InChIInChI=1S/C8H12F3I/c1-2-3-4-7(12)5-6-8(9,10)11/h5H,2-4,6H2,1H3/b7-5-
InChIKeyLGQKGTGAMAUMDY-ALCCZGGFSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene
CID 129409171
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene
CID 76533840
(5E)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
CID 101751958
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
CID 86153409
(Z)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iodododec-5-ene
CID 13680177
2-Iodo-1-(perfluorohexyl)oct-1-ene
CID 54188640
(E)-1,1,1-trifluorooct-3-ene
CID 15416704
(Z)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene
CID 9959394
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene
CID 10816616
(E)-1,1,1-trifluoro-3-iodotridec-2-ene
CID 14364450
(E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene
CID 146167904
(Z)-3,3-difluoro-4-iodoundec-4-ene
CID 177849889

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-iodooct-3-ene?
The IUPAC name of (Z)-1,1,1-trifluoro-4-iodooct-3-ene (CID 15416702) is (Z)-1,1,1-trifluoro-4-iodooct-3-ene.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-iodooct-3-ene?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-iodooct-3-ene is CCCC/C(I)=C/CC(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-iodooct-3-ene?
The InChIKey is LGQKGTGAMAUMDY-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12F3I/c1-2-3-4-7(12)5-6-8(9,10)11/h5H,2-4,6H2,1H3/b7-5-.
What are the key properties of (Z)-1,1,1-trifluoro-4-iodooct-3-ene?
(Z)-1,1,1-trifluoro-4-iodooct-3-ene has a molecular weight of 292.08 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-iodooct-3-ene is sourced from PubChem (CID 15416702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).