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

C8H8BrClFN — CID 80695680

IUPAC5-bromo-2-chloro-N-(2-fluoroethyl)aniline
SMILESFCCNc1cc(Br)ccc1Cl
InChIInChI=1S/C8H8BrClFN/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5,12H,3-4H2
InChIKeyREWBOMZUDVYBPA-UHFFFAOYSA-N
MW252.51 g/mol
LogP3.48
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-fluoroethyl)aniline

5-bromo-2-chloro-N-(2-fluoroethyl)aniline (PubChem CID 80695680) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-fluoroethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-fluoroethyl)aniline
PubChem CID80695680
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name5-bromo-2-chloro-N-(2-fluoroethyl)aniline
SMILESFCCNc1cc(Br)ccc1Cl
InChIInChI=1S/C8H8BrClFN/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5,12H,3-4H2
InChIKeyREWBOMZUDVYBPA-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-fluoroethyl)aniline?
The IUPAC name of 5-bromo-2-chloro-N-(2-fluoroethyl)aniline (CID 80695680) is 5-bromo-2-chloro-N-(2-fluoroethyl)aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-fluoroethyl)aniline?
The canonical SMILES for 5-bromo-2-chloro-N-(2-fluoroethyl)aniline is FCCNc1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-fluoroethyl)aniline?
The InChIKey is REWBOMZUDVYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFN/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5,12H,3-4H2.
What are the key properties of 5-bromo-2-chloro-N-(2-fluoroethyl)aniline?
5-bromo-2-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 5-bromo-2-chloro-N-(2-fluoroethyl)aniline is sourced from PubChem (CID 80695680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).