(E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene

C12H10F13I — CID 146167904

IUPAC(E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene
SMILESCCCC/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/c1-2-3-4-6(26)5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h5H,2-4H2,1H3/b6-5+
InChIKeyNOGMJMXYNGMAOX-AATRIKPKSA-N
MW528.09 g/mol
LogP7.23
Rot. Bonds8

About (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene

(E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene (PubChem CID 146167904) has the molecular formula C12H10F13I and a molecular weight of 528.09 g/mol. Its IUPAC name is (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene.

Molecular Properties

Compound Name(E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene
PubChem CID146167904
Molecular FormulaC12H10F13I
Molecular Weight528.09 g/mol
Exact Mass527.96
IUPAC Name(E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene
SMILESCCCC/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/c1-2-3-4-6(26)5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h5H,2-4H2,1H3/b6-5+
InChIKeyNOGMJMXYNGMAOX-AATRIKPKSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.09
LogP ≤ 57.23
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)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene with MolForge

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Related Compounds

(6E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 10864207
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 11761506
(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
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradec-7-ene
CID 2776180
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluorotridec-5-ene
CID 54254754
(5E)-7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-5-ene
CID 13722135
(5E)-1,1,1,2,2,3,3,4,4-Nonafluorododec-5-ene
CID 14043465
(5E)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
CID 101751958
8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentadecafluorotetradec-6-ene
CID 138396311
1,1,1,2,2,3,3,4,4-Nonafluorododec-5-ene
CID 53917581
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
CID 86153409

Frequently Asked Questions

What is the IUPAC name of (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene?
The IUPAC name of (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene (CID 146167904) is (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene.
What is the SMILES notation for (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene?
The canonical SMILES for (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene is CCCC/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)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene?
The InChIKey is NOGMJMXYNGMAOX-AATRIKPKSA-N. The full InChI is InChI=1S/C12H10F13I/c1-2-3-4-6(26)5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h5H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene?
(E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene has a molecular weight of 528.09 g/mol, XLogP of 7.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene is sourced from PubChem (CID 146167904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).