2-bromo-4-fluoro-N-phenylaniline

C12H9BrFN — CID 121009691

IUPAC2-bromo-4-fluoro-N-phenylaniline
SMILESFc1ccc(Nc2ccccc2)c(Br)c1
InChIInChI=1S/C12H9BrFN/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h1-8,15H
InChIKeySSWYDMVFRSUVCZ-UHFFFAOYSA-N
MW266.11 g/mol
LogP4.33
Rot. Bonds2

About 2-bromo-4-fluoro-N-phenylaniline

2-bromo-4-fluoro-N-phenylaniline (PubChem CID 121009691) has the molecular formula C12H9BrFN and a molecular weight of 266.11 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-phenylaniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-phenylaniline
PubChem CID121009691
Molecular FormulaC12H9BrFN
Molecular Weight266.11 g/mol
Exact Mass264.99
IUPAC Name2-bromo-4-fluoro-N-phenylaniline
SMILESFc1ccc(Nc2ccccc2)c(Br)c1
InChIInChI=1S/C12H9BrFN/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h1-8,15H
InChIKeySSWYDMVFRSUVCZ-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

4-(2-bromo-4-fluoroanilino)benzonitrile
CID 28939526
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
3-N-(2-bromo-4-fluorophenyl)-5-fluorobenzene-1,3-diamine
CID 60877088
2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
CID 156877235
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
2-bromo-4-tert-butyl-N-(3-fluorophenyl)aniline
CID 177279159
2-(2-bromo-4-fluoroanilino)-5-fluorobenzenecarbothioamide
CID 63672844
2-(2-bromoanilino)-5-fluorobenzonitrile
CID 55232513
2-amino-5-(2-bromo-4-fluoroanilino)benzonitrile
CID 115499059
3-fluoro-N-phenylaniline
CID 2774466
4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzoic acid
CID 63537645
2,3,4,5-tetrabromo-N-phenylaniline
CID 101290824

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-phenylaniline?
The IUPAC name of 2-bromo-4-fluoro-N-phenylaniline (CID 121009691) is 2-bromo-4-fluoro-N-phenylaniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-phenylaniline?
The canonical SMILES for 2-bromo-4-fluoro-N-phenylaniline is Fc1ccc(Nc2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-fluoro-N-phenylaniline?
The InChIKey is SSWYDMVFRSUVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h1-8,15H.
What are the key properties of 2-bromo-4-fluoro-N-phenylaniline?
2-bromo-4-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-4-fluoro-N-phenylaniline is sourced from PubChem (CID 121009691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).