2-bromo-4-chloro-N-(2-fluoroethyl)aniline

C8H8BrClFN — CID 81270421

IUPAC2-bromo-4-chloro-N-(2-fluoroethyl)aniline
SMILESFCCNc1ccc(Cl)cc1Br
InChIInChI=1S/C8H8BrClFN/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5,12H,3-4H2
InChIKeySDHXPQJXTDMBIR-UHFFFAOYSA-N
MW252.51 g/mol
LogP3.48
Rot. Bonds3

About 2-bromo-4-chloro-N-(2-fluoroethyl)aniline

2-bromo-4-chloro-N-(2-fluoroethyl)aniline (PubChem CID 81270421) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-fluoroethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-fluoroethyl)aniline
PubChem CID81270421
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name2-bromo-4-chloro-N-(2-fluoroethyl)aniline
SMILESFCCNc1ccc(Cl)cc1Br
InChIInChI=1S/C8H8BrClFN/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5,12H,3-4H2
InChIKeySDHXPQJXTDMBIR-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-N-(2-fluoroethyl)aniline
CID 81280084
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline
CID 81270991
2-bromo-4-chloro-N-octylaniline
CID 81263323
2-(2-bromo-4-chloroanilino)ethanesulfonamide
CID 114385115
2-bromo-4-chloro-N-decylaniline
CID 81271334
2-bromo-4-chloro-N-pent-3-ynylaniline
CID 104807292
2-bromo-4-chloro-N-prop-2-ynylaniline
CID 80979911
3-(2-bromo-4-chloroanilino)-N-methylpropanamide
CID 81270766
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442489
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-fluoroethyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(2-fluoroethyl)aniline (CID 81270421) is 2-bromo-4-chloro-N-(2-fluoroethyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-fluoroethyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(2-fluoroethyl)aniline is FCCNc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-fluoroethyl)aniline?
The InChIKey is SDHXPQJXTDMBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFN/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5,12H,3-4H2.
What are the key properties of 2-bromo-4-chloro-N-(2-fluoroethyl)aniline?
2-bromo-4-chloro-N-(2-fluoroethyl)aniline has a molecular weight of 252.51 g/mol, XLogP of 3.48, 3 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-fluoroethyl)aniline is sourced from PubChem (CID 81270421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).