2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide

C10H11BrFNO — CID 59824888

IUPAC2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(F)c1cccc(Br)c1
InChIInChI=1S/C10H11BrFNO/c1-13(2)10(14)9(12)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3
InChIKeyOOBBORLWDMVEBF-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.55
Rot. Bonds2

About 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide

2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide (PubChem CID 59824888) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide
PubChem CID59824888
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(F)c1cccc(Br)c1
InChIInChI=1S/C10H11BrFNO/c1-13(2)10(14)9(12)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3
InChIKeyOOBBORLWDMVEBF-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide 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 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide?
The IUPAC name of 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide (CID 59824888) is 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide is CN(C)C(=O)C(F)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide?
The InChIKey is OOBBORLWDMVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-13(2)10(14)9(12)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide?
2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide has a molecular weight of 260.11 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-fluoro-N,N-dimethylacetamide is sourced from PubChem (CID 59824888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).