(E)-1,1,1-trifluoro-3-iodotridec-2-ene

C13H22F3I — CID 14364450

IUPAC(E)-1,1,1-trifluoro-3-iodotridec-2-ene
SMILESCCCCCCCCCC/C(I)=C\C(F)(F)F
InChIInChI=1S/C13H22F3I/c1-2-3-4-5-6-7-8-9-10-12(17)11-13(14,15)16/h11H,2-10H2,1H3/b12-11+
InChIKeyIXYABBMAPRCLTN-VAWYXSNFSA-N
MW362.22 g/mol
LogP6.40
Rot. Bonds9

About (E)-1,1,1-trifluoro-3-iodotridec-2-ene

(E)-1,1,1-trifluoro-3-iodotridec-2-ene (PubChem CID 14364450) has the molecular formula C13H22F3I and a molecular weight of 362.22 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-3-iodotridec-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-3-iodotridec-2-ene
PubChem CID14364450
Molecular FormulaC13H22F3I
Molecular Weight362.22 g/mol
Exact Mass362.07
IUPAC Name(E)-1,1,1-trifluoro-3-iodotridec-2-ene
SMILESCCCCCCCCCC/C(I)=C\C(F)(F)F
InChIInChI=1S/C13H22F3I/c1-2-3-4-5-6-7-8-9-10-12(17)11-13(14,15)16/h11H,2-10H2,1H3/b12-11+
InChIKeyIXYABBMAPRCLTN-VAWYXSNFSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.22
LogP ≤ 56.40
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

(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-Nonafluorotetradec-5-ene
CID 98453253
(5E)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
CID 101751958
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoropentadec-7-ene
CID 138396309
1,1,1,2,2,3,3,4,4-Nonafluorotetradec-5-ene
CID 53941420
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
CID 86153409
(Z)-1,1,1,2-tetrafluorotridec-2-ene
CID 13627142
(Z)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iodododec-5-ene
CID 13680177
1,1,1-Trifluoro-2-tridecene
CID 12033880
(E)-1,1-Difluoro-2-nonene
CID 15185670
2-Iodo-1-(perfluorohexyl)oct-1-ene
CID 54188640

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-3-iodotridec-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-3-iodotridec-2-ene (CID 14364450) is (E)-1,1,1-trifluoro-3-iodotridec-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-3-iodotridec-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-3-iodotridec-2-ene is CCCCCCCCCC/C(I)=C\C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-3-iodotridec-2-ene?
The InChIKey is IXYABBMAPRCLTN-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H22F3I/c1-2-3-4-5-6-7-8-9-10-12(17)11-13(14,15)16/h11H,2-10H2,1H3/b12-11+.
What are the key properties of (E)-1,1,1-trifluoro-3-iodotridec-2-ene?
(E)-1,1,1-trifluoro-3-iodotridec-2-ene has a molecular weight of 362.22 g/mol, XLogP of 6.40, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-3-iodotridec-2-ene is sourced from PubChem (CID 14364450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).