(Z)-8,8,8-trifluorooct-5-enal

C8H11F3O — CID 130467615

IUPAC(Z)-8,8,8-trifluorooct-5-enal
SMILESO=CCCC/C=C\CC(F)(F)F
InChIInChI=1S/C8H11F3O/c9-8(10,11)6-4-2-1-3-5-7-12/h2,4,7H,1,3,5-6H2/b4-2-
InChIKeyIHEPNQLULYZCPI-RQOWECAXSA-N
MW180.17 g/mol
LogP2.86
Rot. Bonds5

About (Z)-8,8,8-trifluorooct-5-enal

(Z)-8,8,8-trifluorooct-5-enal (PubChem CID 130467615) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-8,8,8-trifluorooct-5-enal.

Molecular Properties

Compound Name(Z)-8,8,8-trifluorooct-5-enal
PubChem CID130467615
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(Z)-8,8,8-trifluorooct-5-enal
SMILESO=CCCC/C=C\CC(F)(F)F
InChIInChI=1S/C8H11F3O/c9-8(10,11)6-4-2-1-3-5-7-12/h2,4,7H,1,3,5-6H2/b4-2-
InChIKeyIHEPNQLULYZCPI-RQOWECAXSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-8,8,8-trifluorooct-5-enal?
The IUPAC name of (Z)-8,8,8-trifluorooct-5-enal (CID 130467615) is (Z)-8,8,8-trifluorooct-5-enal.
What is the SMILES notation for (Z)-8,8,8-trifluorooct-5-enal?
The canonical SMILES for (Z)-8,8,8-trifluorooct-5-enal is O=CCCC/C=C\CC(F)(F)F.
What is the InChIKey of (Z)-8,8,8-trifluorooct-5-enal?
The InChIKey is IHEPNQLULYZCPI-RQOWECAXSA-N. The full InChI is InChI=1S/C8H11F3O/c9-8(10,11)6-4-2-1-3-5-7-12/h2,4,7H,1,3,5-6H2/b4-2-.
What are the key properties of (Z)-8,8,8-trifluorooct-5-enal?
(Z)-8,8,8-trifluorooct-5-enal has a molecular weight of 180.17 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8,8,8-trifluorooct-5-enal is sourced from PubChem (CID 130467615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).