(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene

C10H10F9I — CID 10646165

IUPAC(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene
SMILESCCC/C(I)=C(/C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9I/c1-3-4-6(20)5(2)7(11,12)8(13,14)9(15,16)10(17,18)19/h3-4H2,1-2H3/b6-5+
InChIKeyUNJBGNHGNHHMHY-AATRIKPKSA-N
MW428.08 g/mol
LogP5.96
Rot. Bonds5

About (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene

(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene (PubChem CID 10646165) has the molecular formula C10H10F9I and a molecular weight of 428.08 g/mol. Its IUPAC name is (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene.

Molecular Properties

Compound Name(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene
PubChem CID10646165
Molecular FormulaC10H10F9I
Molecular Weight428.08 g/mol
Exact Mass427.97
IUPAC Name(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene
SMILESCCC/C(I)=C(/C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9I/c1-3-4-6(20)5(2)7(11,12)8(13,14)9(15,16)10(17,18)19/h3-4H2,1-2H3/b6-5+
InChIKeyUNJBGNHGNHHMHY-AATRIKPKSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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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Related Compounds

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(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iodo-2,2-dimethyldec-3-ene
CID 11432517
1-Decyl-3,3-difluoro-2-iodocyclopropene
CID 11002369
3,3-Difluoro-1-hexyl-2-iodocyclopropene
CID 11033434
1,1,1,7,7,7-Hexafluoro-3,5-dimethyl-2,6-bis(trifluoromethyl)hepta-2,5-diene
CID 53888689
(Z)-3-ethyl-1,1,1-trifluoro-2-methylhex-2-ene
CID 132045990
1-Bromo-3-ethyl-1,1-difluoro-2-iodohex-2-ene
CID 140227809
4-(2-Bromo-2,2-difluoro-1-iodoethylidene)heptane
CID 140227824
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)dec-3-ene
CID 140299266
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)non-3-ene
CID 140299283

Frequently Asked Questions

What is the IUPAC name of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene?
The IUPAC name of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene (CID 10646165) is (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene.
What is the SMILES notation for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene?
The canonical SMILES for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene is CCC/C(I)=C(/C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene?
The InChIKey is UNJBGNHGNHHMHY-AATRIKPKSA-N. The full InChI is InChI=1S/C10H10F9I/c1-3-4-6(20)5(2)7(11,12)8(13,14)9(15,16)10(17,18)19/h3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene?
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene has a molecular weight of 428.08 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene is sourced from PubChem (CID 10646165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).