(5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene

C10H10F9I — CID 129409171

IUPAC(Z)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene
SMILESCCCC/C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/I
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/b6-5-
InChIKeyFOSSNNCPAUONPQ-WAYWQWQTSA-N
MW428.08 g/mol
LogP6.60
Rot. Bonds6

About (5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene

(5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene (PubChem CID 129409171) has the molecular formula C10H10F9I and a molecular weight of 428.08 g/mol. Its IUPAC name is (Z)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene.

Molecular Properties

Compound Name(5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene
PubChem CID129409171
Molecular FormulaC10H10F9I
Molecular Weight428.08 g/mol
Exact Mass427.97
IUPAC Name(Z)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene
SMILESCCCC/C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/I
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/b6-5-
InChIKeyFOSSNNCPAUONPQ-WAYWQWQTSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity356

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.08
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 (5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene?
The IUPAC name of (5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene (CID 129409171) is (Z)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene.
What is the SMILES notation for (5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene?
The canonical SMILES for (5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene is CCCC/C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/I.
What is the InChIKey of (5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene?
The InChIKey is FOSSNNCPAUONPQ-WAYWQWQTSA-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/b6-5-.
What are the key properties of (5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene?
(5Z)-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 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene is sourced from PubChem (CID 129409171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).