[4-bromo-2-fluoro-6-(methylamino)phenyl] formate

C8H7BrFNO2 — CID 134531409

IUPAC[4-bromo-2-fluoro-6-(methylamino)phenyl] formate
SMILESCNc1cc(Br)cc(F)c1OC=O
InChIInChI=1S/C8H7BrFNO2/c1-11-7-3-5(9)2-6(10)8(7)13-4-12/h2-4,11H,1H3
InChIKeyYSYFSPPDWFTRAQ-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.17
Rot. Bonds3

About [4-bromo-2-fluoro-6-(methylamino)phenyl] formate

[4-bromo-2-fluoro-6-(methylamino)phenyl] formate (PubChem CID 134531409) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is [4-bromo-2-fluoro-6-(methylamino)phenyl] formate.

Molecular Properties

Compound Name[4-bromo-2-fluoro-6-(methylamino)phenyl] formate
PubChem CID134531409
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name[4-bromo-2-fluoro-6-(methylamino)phenyl] formate
SMILESCNc1cc(Br)cc(F)c1OC=O
InChIInChI=1S/C8H7BrFNO2/c1-11-7-3-5(9)2-6(10)8(7)13-4-12/h2-4,11H,1H3
InChIKeyYSYFSPPDWFTRAQ-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-fluoro-6-(methylamino)phenyl] formate?
The IUPAC name of [4-bromo-2-fluoro-6-(methylamino)phenyl] formate (CID 134531409) is [4-bromo-2-fluoro-6-(methylamino)phenyl] formate.
What is the SMILES notation for [4-bromo-2-fluoro-6-(methylamino)phenyl] formate?
The canonical SMILES for [4-bromo-2-fluoro-6-(methylamino)phenyl] formate is CNc1cc(Br)cc(F)c1OC=O.
What is the InChIKey of [4-bromo-2-fluoro-6-(methylamino)phenyl] formate?
The InChIKey is YSYFSPPDWFTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c1-11-7-3-5(9)2-6(10)8(7)13-4-12/h2-4,11H,1H3.
What are the key properties of [4-bromo-2-fluoro-6-(methylamino)phenyl] formate?
[4-bromo-2-fluoro-6-(methylamino)phenyl] formate has a molecular weight of 248.05 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-fluoro-6-(methylamino)phenyl] formate is sourced from PubChem (CID 134531409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).