1-bromo-2-fluoro-3-(nitrosomethyl)benzene

C7H5BrFNO — CID 54204656

IUPAC1-bromo-2-fluoro-3-(nitrosomethyl)benzene
SMILESO=NCc1cccc(Br)c1F
InChIInChI=1S/C7H5BrFNO/c8-6-3-1-2-5(4-10-11)7(6)9/h1-3H,4H2
InChIKeyPRQRFSVIOJKRRH-UHFFFAOYSA-N
MW218.02 g/mol
LogP2.85
Rot. Bonds2

About 1-bromo-2-fluoro-3-(nitrosomethyl)benzene

1-bromo-2-fluoro-3-(nitrosomethyl)benzene (PubChem CID 54204656) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 1-bromo-2-fluoro-3-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-3-(nitrosomethyl)benzene
PubChem CID54204656
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name1-bromo-2-fluoro-3-(nitrosomethyl)benzene
SMILESO=NCc1cccc(Br)c1F
InChIInChI=1S/C7H5BrFNO/c8-6-3-1-2-5(4-10-11)7(6)9/h1-3H,4H2
InChIKeyPRQRFSVIOJKRRH-UHFFFAOYSA-N
XLogP2.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-2-fluoro-3-(nitrosomethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-3-(nitrosomethyl)benzene?
The IUPAC name of 1-bromo-2-fluoro-3-(nitrosomethyl)benzene (CID 54204656) is 1-bromo-2-fluoro-3-(nitrosomethyl)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-3-(nitrosomethyl)benzene?
The canonical SMILES for 1-bromo-2-fluoro-3-(nitrosomethyl)benzene is O=NCc1cccc(Br)c1F.
What is the InChIKey of 1-bromo-2-fluoro-3-(nitrosomethyl)benzene?
The InChIKey is PRQRFSVIOJKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c8-6-3-1-2-5(4-10-11)7(6)9/h1-3H,4H2.
What are the key properties of 1-bromo-2-fluoro-3-(nitrosomethyl)benzene?
1-bromo-2-fluoro-3-(nitrosomethyl)benzene has a molecular weight of 218.02 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-3-(nitrosomethyl)benzene is sourced from PubChem (CID 54204656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).