4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline

C12H8BrF2NO — CID 114671642

IUPAC4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
SMILESNc1ccc(Oc2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C12H8BrF2NO/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6H,16H2
InChIKeySACQUNJCZUXHBP-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.10
Rot. Bonds2

About 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline

4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline (PubChem CID 114671642) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
PubChem CID114671642
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
SMILESNc1ccc(Oc2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C12H8BrF2NO/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6H,16H2
InChIKeySACQUNJCZUXHBP-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 54.10
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

5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide
CID 114671687
5-amino-2-(5-bromo-2-fluorophenoxy)benzonitrile
CID 114671689
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
CID 106948740
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
CID 114671712
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline (CID 114671642) is 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline is Nc1ccc(Oc2cc(Br)ccc2F)c(F)c1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline?
The InChIKey is SACQUNJCZUXHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6H,16H2.
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline?
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline has a molecular weight of 300.10 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline is sourced from PubChem (CID 114671642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).