1,1,1-trifluoro-3-iodooct-2-ene

C8H12F3I — CID 72824718

IUPAC1,1,1-trifluoro-3-iodooct-2-ene
SMILESCCCCCC(I)=CC(F)(F)F
InChIInChI=1S/C8H12F3I/c1-2-3-4-5-7(12)6-8(9,10)11/h6H,2-5H2,1H3
InChIKeyPZBGNEDKYGMXOQ-UHFFFAOYSA-N
MW292.08 g/mol
LogP4.45
Rot. Bonds4

About 1,1,1-trifluoro-3-iodooct-2-ene

1,1,1-trifluoro-3-iodooct-2-ene (PubChem CID 72824718) has the molecular formula C8H12F3I and a molecular weight of 292.08 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-iodooct-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-3-iodooct-2-ene
PubChem CID72824718
Molecular FormulaC8H12F3I
Molecular Weight292.08 g/mol
Exact Mass291.99
IUPAC Name1,1,1-trifluoro-3-iodooct-2-ene
SMILESCCCCCC(I)=CC(F)(F)F
InChIInChI=1S/C8H12F3I/c1-2-3-4-5-7(12)6-8(9,10)11/h6H,2-5H2,1H3
InChIKeyPZBGNEDKYGMXOQ-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene
CID 11245158
1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene
CID 153324074
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodohexadec-7-ene
CID 11093095
(E)-1,2-diiodohept-1-ene
CID 15312157
(E)-1,2-diiododec-1-ene
CID 11361339
(E)-1,2-dibromohept-1-ene
CID 134985754
2-iodooct-1-enyl(trimethyl)silane
CID 71353850
(E)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 11090556
(Z)-3-bromooct-2-ene
CID 13181431
1,1,1-trifluoronon-2-en-4-one
CID 173295293
(E)-3-iodo-1-methoxynon-2-ene
CID 10493117
6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol
CID 86666682

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-iodooct-2-ene?
The IUPAC name of 1,1,1-trifluoro-3-iodooct-2-ene (CID 72824718) is 1,1,1-trifluoro-3-iodooct-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-3-iodooct-2-ene?
The canonical SMILES for 1,1,1-trifluoro-3-iodooct-2-ene is CCCCCC(I)=CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-iodooct-2-ene?
The InChIKey is PZBGNEDKYGMXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3I/c1-2-3-4-5-7(12)6-8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-iodooct-2-ene?
1,1,1-trifluoro-3-iodooct-2-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 1,1,1-trifluoro-3-iodooct-2-ene is sourced from PubChem (CID 72824718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).