4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline

C8H6BrClF3N — CID 43347377

IUPAC4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1ccc(Br)cc1Cl
InChIInChI=1S/C8H6BrClF3N/c9-5-1-2-7(6(10)3-5)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeyLTSBWJRAUCGPKD-UHFFFAOYSA-N
MW288.49 g/mol
LogP4.08
Rot. Bonds2

About 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline

4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 43347377) has the molecular formula C8H6BrClF3N and a molecular weight of 288.49 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID43347377
Molecular FormulaC8H6BrClF3N
Molecular Weight288.49 g/mol
Exact Mass286.93
IUPAC Name4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1ccc(Br)cc1Cl
InChIInChI=1S/C8H6BrClF3N/c9-5-1-2-7(6(10)3-5)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeyLTSBWJRAUCGPKD-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 116788818
2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60690990
4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
3-[(4-bromo-2-chloroanilino)methyl]pentan-3-ol
CID 114492781
2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline
CID 81270991
methyl 3-(4-bromo-2-chloroanilino)-2,2-dimethylpropanoate
CID 79624436
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
4-bromo-2-chloro-N-prop-2-ynylaniline
CID 62140498
4-bromo-2-(2,2,2-trifluoroethylamino)benzoic acid
CID 114907208
4-bromo-2-chloroaniline;4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline;2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)aniline;3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 158532101
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
4-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-2-chloroaniline
CID 79710392

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline (CID 43347377) is 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline is FC(F)(F)CNc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is LTSBWJRAUCGPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3N/c9-5-1-2-7(6(10)3-5)14-4-8(11,12)13/h1-3,14H,4H2.
What are the key properties of 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline?
4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 288.49 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 43347377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).