(5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal

C11H12F4O — CID 90290980

IUPAC(5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal
SMILESC=C(F)/C(=C\C(=C)C(F)(F)F)CCCC=O
InChIInChI=1S/C11H12F4O/c1-8(11(13,14)15)7-10(9(2)12)5-3-4-6-16/h6-7H,1-5H2/b10-7-
InChIKeyMZOAVVIPGWWNON-YFHOEESVSA-N
MW236.21 g/mol
LogP3.88
Rot. Bonds6

About (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal

(5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal (PubChem CID 90290980) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal.

Molecular Properties

Compound Name(5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal
PubChem CID90290980
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name(5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal
SMILESC=C(F)/C(=C\C(=C)C(F)(F)F)CCCC=O
InChIInChI=1S/C11H12F4O/c1-8(11(13,14)15)7-10(9(2)12)5-3-4-6-16/h6-7H,1-5H2/b10-7-
InChIKeyMZOAVVIPGWWNON-YFHOEESVSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.88
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal?
The IUPAC name of (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal (CID 90290980) is (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal.
What is the SMILES notation for (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal?
The canonical SMILES for (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal is C=C(F)/C(=C\C(=C)C(F)(F)F)CCCC=O.
What is the InChIKey of (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal?
The InChIKey is MZOAVVIPGWWNON-YFHOEESVSA-N. The full InChI is InChI=1S/C11H12F4O/c1-8(11(13,14)15)7-10(9(2)12)5-3-4-6-16/h6-7H,1-5H2/b10-7-.
What are the key properties of (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal?
(5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal has a molecular weight of 236.21 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-fluoroethenyl)-7-(trifluoromethyl)octa-5,7-dienal is sourced from PubChem (CID 90290980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).