(E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene

C15H22F7I — CID 14364441

IUPAC(E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene
SMILESCCCCCCCCCC/C(I)=C\C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H22F7I/c1-2-3-4-5-6-7-8-9-10-12(23)11-13(16,14(17,18)19)15(20,21)22/h11H,2-10H2,1H3/b12-11+
InChIKeyMEWQLLKWFCRTPH-VAWYXSNFSA-N
MW462.23 g/mol
LogP7.67
Rot. Bonds10

About (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene

(E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene (PubChem CID 14364441) has the molecular formula C15H22F7I and a molecular weight of 462.23 g/mol. Its IUPAC name is (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene.

Molecular Properties

Compound Name(E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene
PubChem CID14364441
Molecular FormulaC15H22F7I
Molecular Weight462.23 g/mol
Exact Mass462.07
IUPAC Name(E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene
SMILESCCCCCCCCCC/C(I)=C\C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H22F7I/c1-2-3-4-5-6-7-8-9-10-12(23)11-13(16,14(17,18)19)15(20,21)22/h11H,2-10H2,1H3/b12-11+
InChIKeyMEWQLLKWFCRTPH-VAWYXSNFSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.23
LogP ≤ 57.67
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
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
2-Iodo-1-(perfluorohexyl)oct-1-ene
CID 54188640
(E)-1-fluoro-2-iodotridec-2-ene
CID 141333679

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene?
The IUPAC name of (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene (CID 14364441) is (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene.
What is the SMILES notation for (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene?
The canonical SMILES for (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene is CCCCCCCCCC/C(I)=C\C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene?
The InChIKey is MEWQLLKWFCRTPH-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H22F7I/c1-2-3-4-5-6-7-8-9-10-12(23)11-13(16,14(17,18)19)15(20,21)22/h11H,2-10H2,1H3/b12-11+.
What are the key properties of (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene?
(E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene has a molecular weight of 462.23 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)tetradec-3-ene is sourced from PubChem (CID 14364441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).