4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine

C19H25BrF3N — CID 123472118

IUPAC4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine
SMILESCCC(CCC(C)C)C(=C/C(=N/C)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C19H25BrF3N/c1-5-14(7-6-13(2)3)17(12-18(24-4)19(21,22)23)15-8-10-16(20)11-9-15/h8-14H,5-7H2,1-4H3/b17-12?,24-18-
InChIKeyWESYUFUKHRBNBV-OYASABQHSA-N
MW404.31 g/mol
LogP6.93
Rot. Bonds7

About 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine

4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine (PubChem CID 123472118) has the molecular formula C19H25BrF3N and a molecular weight of 404.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine
PubChem CID123472118
Molecular FormulaC19H25BrF3N
Molecular Weight404.31 g/mol
Exact Mass403.11
IUPAC Name4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine
SMILESCCC(CCC(C)C)C(=C/C(=N/C)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C19H25BrF3N/c1-5-14(7-6-13(2)3)17(12-18(24-4)19(21,22)23)15-8-10-16(20)11-9-15/h8-14H,5-7H2,1-4H3/b17-12?,24-18-
InChIKeyWESYUFUKHRBNBV-OYASABQHSA-N
XLogP6.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 56.93
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

(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 139182438
5-(4-bromophenyl)-7-(trifluoromethyl)-3,6-dihydro-2H-1,4-diazepine
CID 132470818
6-(4-Bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 58938108
5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 71607980
5-ethyl-1,1,1-trifluoro-N,8-dimethyl-4-(4-methylphenyl)non-3-en-2-imine
CID 123379472
1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine
CID 123453788
3-(2-bromophenyl)-N-[1-(4,4-difluorocyclohexyl)ethyl]pentan-2-imine
CID 129202398
(Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine
CID 139577228
5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole
CID 142175464
4-[2-Bromo-5-(trifluoromethyl)phenyl]-6-tert-butyl-2,3-dihydropyridine
CID 144534693
(E)-1-(4-bromophenyl)-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
CID 146293024
N-[(E)-[1-(4-bromophenyl)-2-(trifluoromethyl)prop-2-enylidene]amino]-N-methylmethanamine
CID 172958022

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine?
The IUPAC name of 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine (CID 123472118) is 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine.
What is the SMILES notation for 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine?
The canonical SMILES for 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine is CCC(CCC(C)C)C(=C/C(=N/C)C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine?
The InChIKey is WESYUFUKHRBNBV-OYASABQHSA-N. The full InChI is InChI=1S/C19H25BrF3N/c1-5-14(7-6-13(2)3)17(12-18(24-4)19(21,22)23)15-8-10-16(20)11-9-15/h8-14H,5-7H2,1-4H3/b17-12?,24-18-.
What are the key properties of 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine?
4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine has a molecular weight of 404.31 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine is sourced from PubChem (CID 123472118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).