N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline

C12H8BrF3N2S — CID 5037826

IUPACN-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NN=Cc2cc(Br)cs2)cc1
InChIInChI=1S/C12H8BrF3N2S/c13-9-5-11(19-7-9)6-17-18-10-3-1-8(2-4-10)12(14,15)16/h1-7,18H
InChIKeyBXCNSSWCCOLNKQ-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.98
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline

N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline (PubChem CID 5037826) has the molecular formula C12H8BrF3N2S and a molecular weight of 349.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline
PubChem CID5037826
Molecular FormulaC12H8BrF3N2S
Molecular Weight349.18 g/mol
Exact Mass347.95
IUPAC NameN-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NN=Cc2cc(Br)cs2)cc1
InChIInChI=1S/C12H8BrF3N2S/c13-9-5-11(19-7-9)6-17-18-10-3-1-8(2-4-10)12(14,15)16/h1-7,18H
InChIKeyBXCNSSWCCOLNKQ-UHFFFAOYSA-N
XLogP4.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 41271343
N-[(Z)-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 6282077
N-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841950
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
(4-bromothiophen-2-yl)methylidenehydrazine
CID 20982222
2-[(2E)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid
CID 45327660
N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline
CID 110842073
2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137248796
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
CID 53474983
CID 53474983

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline (CID 5037826) is N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NN=Cc2cc(Br)cs2)cc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline?
The InChIKey is BXCNSSWCCOLNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2S/c13-9-5-11(19-7-9)6-17-18-10-3-1-8(2-4-10)12(14,15)16/h1-7,18H.
What are the key properties of N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline?
N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline has a molecular weight of 349.18 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 5037826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).