3-fluoro-N,N-dimethylaniline

C8H10FN — CID 586749

IUPAC3-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cccc(F)c1
InChIInChI=1S/C8H10FN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeySDDGNMXIOGQCCH-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.89
Rot. Bonds1

About 3-fluoro-N,N-dimethylaniline

3-fluoro-N,N-dimethylaniline (PubChem CID 586749) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name3-fluoro-N,N-dimethylaniline
PubChem CID586749
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name3-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cccc(F)c1
InChIInChI=1S/C8H10FN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeySDDGNMXIOGQCCH-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-N,N-dimethylaniline with MolForge

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

Launch Full Analysis

Related Compounds

CID 949
CID 949
CID 6053
CID 6053
CID 7471
CID 7471
CID 7515
CID 7515
CID 8749
CID 8749
CID 7670
CID 7670
CID 7472
CID 7472
CID 13032
CID 13032
CID 7120
CID 7120
CID 7061
CID 7061
CID 11957
CID 11957
CID 7490
CID 7490

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethylaniline?
The IUPAC name of 3-fluoro-N,N-dimethylaniline (CID 586749) is 3-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 3-fluoro-N,N-dimethylaniline?
The canonical SMILES for 3-fluoro-N,N-dimethylaniline is CN(C)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N,N-dimethylaniline?
The InChIKey is SDDGNMXIOGQCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3.
What are the key properties of 3-fluoro-N,N-dimethylaniline?
3-fluoro-N,N-dimethylaniline has a molecular weight of 139.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 586749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).