(E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine

C11H11BrF3NO — CID 176902575

IUPAC(E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OC(C)Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11BrF3NO/c1-7(16-17-8(2)12)9-3-5-10(6-4-9)11(13,14)15/h3-6,8H,1-2H3/b16-7+
InChIKeyUDSGLAQTMQCFRT-FRKPEAEDSA-N
MW310.11 g/mol
LogP4.19
Rot. Bonds3

About (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine

(E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 176902575) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID176902575
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name(E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OC(C)Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11BrF3NO/c1-7(16-17-8(2)12)9-3-5-10(6-4-9)11(13,14)15/h3-6,8H,1-2H3/b16-7+
InChIKeyUDSGLAQTMQCFRT-FRKPEAEDSA-N
XLogP4.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
CID 173297287
2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol
CID 54338999
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11779029
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
3-methyl-1-[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]butan-2-one
CID 123786679
methyl (Z)-4,4,4-trifluoro-3-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxybut-2-enoate
CID 11089554
N-methyl-4-(trifluoromethyl)benzenecarboximidate
CID 58832425
N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139245860
N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 10340860
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
2-amino-1-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine
CID 154039238

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 176902575) is (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine is C/C(=N\OC(C)Br)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is UDSGLAQTMQCFRT-FRKPEAEDSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-7(16-17-8(2)12)9-3-5-10(6-4-9)11(13,14)15/h3-6,8H,1-2H3/b16-7+.
What are the key properties of (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine?
(E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 310.11 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 176902575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).