1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene

C14H14F13I — CID 54188640

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene
SMILESCCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F13I/c1-2-3-4-5-6-8(28)7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7H,2-6H2,1H3
InChIKeyPGXQSDHDILHKHE-UHFFFAOYSA-N
MW556.14 g/mol
LogP8.01
Rot. Bonds10

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene (PubChem CID 54188640) has the molecular formula C14H14F13I and a molecular weight of 556.14 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene
PubChem CID54188640
Molecular FormulaC14H14F13I
Molecular Weight556.14 g/mol
Exact Mass555.99
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene
SMILESCCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F13I/c1-2-3-4-5-6-8(28)7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7H,2-6H2,1H3
InChIKeyPGXQSDHDILHKHE-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.14
LogP ≤ 58.01
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene (CID 54188640) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene is CCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene?
The InChIKey is PGXQSDHDILHKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F13I/c1-2-3-4-5-6-8(28)7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7H,2-6H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene has a molecular weight of 556.14 g/mol, XLogP of 8.01, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene is sourced from PubChem (CID 54188640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).