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

C8H6BrClF3N — CID 81270991

IUPAC2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C8H6BrClF3N/c9-6-3-5(10)1-2-7(6)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeySQIKOHGQMPPTHM-UHFFFAOYSA-N
MW288.49 g/mol
LogP4.08
Rot. Bonds2

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

2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 81270991) has the molecular formula C8H6BrClF3N and a molecular weight of 288.49 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID81270991
Molecular FormulaC8H6BrClF3N
Molecular Weight288.49 g/mol
Exact Mass286.93
IUPAC Name2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C8H6BrClF3N/c9-6-3-5(10)1-2-7(6)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeySQIKOHGQMPPTHM-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

3-[(2-bromo-4-chloroanilino)methyl]pentan-3-ol
CID 114493426
2-bromo-4-chloro-N-(2-fluoroethyl)aniline
CID 81270421
4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline
CID 43347377
2-bromo-4-chloro-N-prop-2-ynylaniline
CID 80979911
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
4-[(2-bromo-4-chloroanilino)methyl]benzonitrile
CID 81262865
2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
2-bromo-4-chloro-N-decylaniline
CID 81271334
2-bromo-4-chloro-N-octylaniline
CID 81263323

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline (CID 81270991) is 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline is FC(F)(F)CNc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is SQIKOHGQMPPTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3N/c9-6-3-5(10)1-2-7(6)14-4-8(11,12)13/h1-3,14H,4H2.
What are the key properties of 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline?
2-bromo-4-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 2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 81270991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).