5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine

C20H28F3N — CID 123379472

IUPAC5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine
SMILESCCC(CCC(C)C)C(=C/C(=N/C)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C20H28F3N/c1-6-16(10-7-14(2)3)18(13-19(24-5)20(21,22)23)17-11-8-15(4)9-12-17/h8-9,11-14,16H,6-7,10H2,1-5H3/b18-13?,24-19-
InChIKeyHRHANUWAJOXVJX-TZSGLYMXSA-N
MW339.45 g/mol
LogP6.47
Rot. Bonds7

About 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine

5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine (PubChem CID 123379472) has the molecular formula C20H28F3N and a molecular weight of 339.45 g/mol. Its IUPAC name is 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine.

Molecular Properties

Compound Name5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine
PubChem CID123379472
Molecular FormulaC20H28F3N
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine
SMILESCCC(CCC(C)C)C(=C/C(=N/C)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C20H28F3N/c1-6-16(10-7-14(2)3)18(13-19(24-5)20(21,22)23)17-11-8-15(4)9-12-17/h8-9,11-14,16H,6-7,10H2,1-5H3/b18-13?,24-19-
InChIKeyHRHANUWAJOXVJX-TZSGLYMXSA-N
XLogP6.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.45
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569
N-{1-[4-(Trifluoromethyl)phenyl]ethylidene}hydroxylamine
CID 5959048
N-methyl-1-[3-(trifluoromethyl)phenyl]ethanimine
CID 85579720
1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-
CID 580046
2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
CID 12869998
1-[1-[4-(Trifluoromethyl)phenyl]ethylidene]hydrazine
CID 22084326
N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 71665450
Trifluoro-methyl-p-tolyldiazomethane
CID 85619527
(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine
CID 101372106
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
N-butyl-2-fluoro-1-phenylethanimine
CID 101419521

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine?
The IUPAC name of 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine (CID 123379472) is 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine.
What is the SMILES notation for 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine?
The canonical SMILES for 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine is CCC(CCC(C)C)C(=C/C(=N/C)C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine?
The InChIKey is HRHANUWAJOXVJX-TZSGLYMXSA-N. The full InChI is InChI=1S/C20H28F3N/c1-6-16(10-7-14(2)3)18(13-19(24-5)20(21,22)23)17-11-8-15(4)9-12-17/h8-9,11-14,16H,6-7,10H2,1-5H3/b18-13?,24-19-.
What are the key properties of 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine?
5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine has a molecular weight of 339.45 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine is sourced from PubChem (CID 123379472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).