2-bromo-3-fluoro-N-phenylaniline

C12H9BrFN — CID 141346000

IUPAC2-bromo-3-fluoro-N-phenylaniline
SMILESFc1cccc(Nc2ccccc2)c1Br
InChIInChI=1S/C12H9BrFN/c13-12-10(14)7-4-8-11(12)15-9-5-2-1-3-6-9/h1-8,15H
InChIKeyHMPQQFSVJOMLGG-UHFFFAOYSA-N
MW266.11 g/mol
LogP4.33
Rot. Bonds2

About 2-bromo-3-fluoro-N-phenylaniline

2-bromo-3-fluoro-N-phenylaniline (PubChem CID 141346000) has the molecular formula C12H9BrFN and a molecular weight of 266.11 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N-phenylaniline.

Molecular Properties

Compound Name2-bromo-3-fluoro-N-phenylaniline
PubChem CID141346000
Molecular FormulaC12H9BrFN
Molecular Weight266.11 g/mol
Exact Mass264.99
IUPAC Name2-bromo-3-fluoro-N-phenylaniline
SMILESFc1cccc(Nc2ccccc2)c1Br
InChIInChI=1S/C12H9BrFN/c13-12-10(14)7-4-8-11(12)15-9-5-2-1-3-6-9/h1-8,15H
InChIKeyHMPQQFSVJOMLGG-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-phenylaniline
CID 13387559
2-fluoro-N-phenylaniline;trifluoromethanesulfonic acid
CID 171929933
2-bromo-4-fluoro-N-phenylaniline
CID 121009691
3-(2-fluoroanilino)phenol
CID 82537350
4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 117027231
2,3,4,5-tetrabromo-N-phenylaniline
CID 101290824
N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine
CID 146486830
4-(2-fluoroanilino)benzoic acid
CID 62231206
2-chloro-6-fluoro-N-phenylaniline
CID 18546408
2-(2-bromo-3-fluoroanilino)ethylcarbamic acid
CID 166749205
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
2,3-dimethyl-N-phenylaniline
CID 14952469

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N-phenylaniline?
The IUPAC name of 2-bromo-3-fluoro-N-phenylaniline (CID 141346000) is 2-bromo-3-fluoro-N-phenylaniline.
What is the SMILES notation for 2-bromo-3-fluoro-N-phenylaniline?
The canonical SMILES for 2-bromo-3-fluoro-N-phenylaniline is Fc1cccc(Nc2ccccc2)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-N-phenylaniline?
The InChIKey is HMPQQFSVJOMLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN/c13-12-10(14)7-4-8-11(12)15-9-5-2-1-3-6-9/h1-8,15H.
What are the key properties of 2-bromo-3-fluoro-N-phenylaniline?
2-bromo-3-fluoro-N-phenylaniline has a molecular weight of 266.11 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N-phenylaniline is sourced from PubChem (CID 141346000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).