5-fluoro-N,2-dimethylaniline

C8H10FN — CID 28582941

IUPAC5-fluoro-N,2-dimethylaniline
SMILESCNc1cc(F)ccc1C
InChIInChI=1S/C8H10FN/c1-6-3-4-7(9)5-8(6)10-2/h3-5,10H,1-2H3
InChIKeyNYLRQKXFBZTRMD-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.18
Rot. Bonds1

About 5-fluoro-N,2-dimethylaniline

5-fluoro-N,2-dimethylaniline (PubChem CID 28582941) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethylaniline.

Molecular Properties

Compound Name5-fluoro-N,2-dimethylaniline
PubChem CID28582941
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name5-fluoro-N,2-dimethylaniline
SMILESCNc1cc(F)ccc1C
InChIInChI=1S/C8H10FN/c1-6-3-4-7(9)5-8(6)10-2/h3-5,10H,1-2H3
InChIKeyNYLRQKXFBZTRMD-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-N,2-dimethylaniline 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 5-fluoro-N,2-dimethylaniline?
The IUPAC name of 5-fluoro-N,2-dimethylaniline (CID 28582941) is 5-fluoro-N,2-dimethylaniline.
What is the SMILES notation for 5-fluoro-N,2-dimethylaniline?
The canonical SMILES for 5-fluoro-N,2-dimethylaniline is CNc1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N,2-dimethylaniline?
The InChIKey is NYLRQKXFBZTRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-3-4-7(9)5-8(6)10-2/h3-5,10H,1-2H3.
What are the key properties of 5-fluoro-N,2-dimethylaniline?
5-fluoro-N,2-dimethylaniline has a molecular weight of 139.17 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethylaniline is sourced from PubChem (CID 28582941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).