(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene

C12H10F13I — CID 11432517

IUPAC(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene
SMILESCC(C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F13I/c1-6(2,3)5(26)4-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4H,1-3H3/b5-4+
InChIKeyJZLOSSNSGSPOOZ-SNAWJCMRSA-N
MW528.09 g/mol
LogP7.09
Rot. Bonds5

About (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene

(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene (PubChem CID 11432517) has the molecular formula C12H10F13I and a molecular weight of 528.09 g/mol. Its IUPAC name is (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene.

Molecular Properties

Compound Name(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene
PubChem CID11432517
Molecular FormulaC12H10F13I
Molecular Weight528.09 g/mol
Exact Mass527.96
IUPAC Name(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene
SMILESCC(C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F13I/c1-6(2,3)5(26)4-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4H,1-3H3/b5-4+
InChIKeyJZLOSSNSGSPOOZ-SNAWJCMRSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.09
LogP ≤ 57.09
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'}

Analyze (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene with MolForge

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Related Compounds

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(5E)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
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Frequently Asked Questions

What is the IUPAC name of (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene?
The IUPAC name of (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene (CID 11432517) is (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene.
What is the SMILES notation for (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene?
The canonical SMILES for (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene is CC(C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene?
The InChIKey is JZLOSSNSGSPOOZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H10F13I/c1-6(2,3)5(26)4-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4H,1-3H3/b5-4+.
What are the key properties of (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene?
(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene has a molecular weight of 528.09 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene is sourced from PubChem (CID 11432517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).