1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene

C10H10F9I — CID 76533840

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene
SMILESCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9I/c1-2-3-4-6(20)5-7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,2-4H2,1H3
InChIKeyFOSSNNCPAUONPQ-UHFFFAOYSA-N
MW428.08 g/mol
LogP5.96
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene

1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene (PubChem CID 76533840) has the molecular formula C10H10F9I and a molecular weight of 428.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene
PubChem CID76533840
Molecular FormulaC10H10F9I
Molecular Weight428.08 g/mol
Exact Mass427.97
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene
SMILESCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9I/c1-2-3-4-6(20)5-7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,2-4H2,1H3
InChIKeyFOSSNNCPAUONPQ-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.08
LogP ≤ 55.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene (CID 76533840) is 1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene is CCCCC(I)=CC(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-nonafluoro-6-iododec-5-ene?
The InChIKey is FOSSNNCPAUONPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9I/c1-2-3-4-6(20)5-7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,2-4H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene?
1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene has a molecular weight of 428.08 g/mol, XLogP of 5.96, 6 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-nonafluoro-6-iododec-5-ene is sourced from PubChem (CID 76533840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).