2-bromo-4-(2-fluorophenoxy)aniline

C12H9BrFNO — CID 138707019

IUPAC2-bromo-4-(2-fluorophenoxy)aniline
SMILESNc1ccc(Oc2ccccc2F)cc1Br
InChIInChI=1S/C12H9BrFNO/c13-9-7-8(5-6-11(9)15)16-12-4-2-1-3-10(12)14/h1-7H,15H2
InChIKeyBGLQDVIEYLPFFL-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.96
Rot. Bonds2

About 2-bromo-4-(2-fluorophenoxy)aniline

2-bromo-4-(2-fluorophenoxy)aniline (PubChem CID 138707019) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 2-bromo-4-(2-fluorophenoxy)aniline.

Molecular Properties

Compound Name2-bromo-4-(2-fluorophenoxy)aniline
PubChem CID138707019
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name2-bromo-4-(2-fluorophenoxy)aniline
SMILESNc1ccc(Oc2ccccc2F)cc1Br
InChIInChI=1S/C12H9BrFNO/c13-9-7-8(5-6-11(9)15)16-12-4-2-1-3-10(12)14/h1-7H,15H2
InChIKeyBGLQDVIEYLPFFL-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
2-fluoro-4-(2-fluorophenoxy)phenol
CID 165357625
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine
CID 118138308
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride
CID 118138307

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-fluorophenoxy)aniline?
The IUPAC name of 2-bromo-4-(2-fluorophenoxy)aniline (CID 138707019) is 2-bromo-4-(2-fluorophenoxy)aniline.
What is the SMILES notation for 2-bromo-4-(2-fluorophenoxy)aniline?
The canonical SMILES for 2-bromo-4-(2-fluorophenoxy)aniline is Nc1ccc(Oc2ccccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-(2-fluorophenoxy)aniline?
The InChIKey is BGLQDVIEYLPFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-9-7-8(5-6-11(9)15)16-12-4-2-1-3-10(12)14/h1-7H,15H2.
What are the key properties of 2-bromo-4-(2-fluorophenoxy)aniline?
2-bromo-4-(2-fluorophenoxy)aniline has a molecular weight of 282.11 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-fluorophenoxy)aniline is sourced from PubChem (CID 138707019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).