(3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene

C10H12F3NO — CID 129120316

IUPAC(3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene
SMILESC=C/C(C)=C\C=C(/C)C(N=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-4-7(2)5-6-8(3)9(14-15)10(11,12)13/h4-6,9H,1H2,2-3H3/b7-5-,8-6+
InChIKeyCPYWPDFAEBDMPY-CGXWXWIYSA-N
MW219.21 g/mol
LogP3.76
Rot. Bonds4

About (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene

(3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene (PubChem CID 129120316) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene
PubChem CID129120316
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene
SMILESC=C/C(C)=C\C=C(/C)C(N=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-4-7(2)5-6-8(3)9(14-15)10(11,12)13/h4-6,9H,1H2,2-3H3/b7-5-,8-6+
InChIKeyCPYWPDFAEBDMPY-CGXWXWIYSA-N
XLogP3.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene?
The IUPAC name of (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene (CID 129120316) is (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene is C=C/C(C)=C\C=C(/C)C(N=O)C(F)(F)F.
What is the InChIKey of (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene?
The InChIKey is CPYWPDFAEBDMPY-CGXWXWIYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-4-7(2)5-6-8(3)9(14-15)10(11,12)13/h4-6,9H,1H2,2-3H3/b7-5-,8-6+.
What are the key properties of (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene?
(3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene has a molecular weight of 219.21 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene is sourced from PubChem (CID 129120316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).