(4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine

C19H23F4N — CID 165038189

IUPAC(4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine
SMILESC=C1CC(C(/C=C\CC(=C)N(C)C)=C(C)C)=C(F)C=C1C(F)(F)F
InChIInChI=1S/C19H23F4N/c1-12(2)15(9-7-8-14(4)24(5)6)16-10-13(3)17(11-18(16)20)19(21,22)23/h7,9,11H,3-4,8,10H2,1-2,5-6H3/b9-7-
InChIKeyNSEAFRZFVFONER-CLFYSBASSA-N
MW341.39 g/mol
LogP6.02
Rot. Bonds5

About (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine

(4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine (PubChem CID 165038189) has the molecular formula C19H23F4N and a molecular weight of 341.39 g/mol. Its IUPAC name is (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine
PubChem CID165038189
Molecular FormulaC19H23F4N
Molecular Weight341.39 g/mol
Exact Mass341.18
IUPAC Name(4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine
SMILESC=C1CC(C(/C=C\CC(=C)N(C)C)=C(C)C)=C(F)C=C1C(F)(F)F
InChIInChI=1S/C19H23F4N/c1-12(2)15(9-7-8-14(4)24(5)6)16-10-13(3)17(11-18(16)20)19(21,22)23/h7,9,11H,3-4,8,10H2,1-2,5-6H3/b9-7-
InChIKeyNSEAFRZFVFONER-CLFYSBASSA-N
XLogP6.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.39
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine?
The IUPAC name of (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine (CID 165038189) is (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine?
The canonical SMILES for (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine is C=C1CC(C(/C=C\CC(=C)N(C)C)=C(C)C)=C(F)C=C1C(F)(F)F.
What is the InChIKey of (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine?
The InChIKey is NSEAFRZFVFONER-CLFYSBASSA-N. The full InChI is InChI=1S/C19H23F4N/c1-12(2)15(9-7-8-14(4)24(5)6)16-10-13(3)17(11-18(16)20)19(21,22)23/h7,9,11H,3-4,8,10H2,1-2,5-6H3/b9-7-.
What are the key properties of (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine?
(4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine has a molecular weight of 341.39 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine is sourced from PubChem (CID 165038189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).