2-fluoro-3,6-dimethylaniline

C8H10FN — CID 67968158

IUPAC2-fluoro-3,6-dimethylaniline
SMILESCc1ccc(C)c(F)c1N
InChIInChI=1S/C8H10FN/c1-5-3-4-6(2)8(10)7(5)9/h3-4H,10H2,1-2H3
InChIKeyARFCSDYGWXHNKP-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.02
Rot. Bonds

About 2-fluoro-3,6-dimethylaniline

2-fluoro-3,6-dimethylaniline (PubChem CID 67968158) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-fluoro-3,6-dimethylaniline.

Molecular Properties

Compound Name2-fluoro-3,6-dimethylaniline
PubChem CID67968158
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-fluoro-3,6-dimethylaniline
SMILESCc1ccc(C)c(F)c1N
InChIInChI=1S/C8H10FN/c1-5-3-4-6(2)8(10)7(5)9/h3-4H,10H2,1-2H3
InChIKeyARFCSDYGWXHNKP-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,6-dimethylaniline?
The IUPAC name of 2-fluoro-3,6-dimethylaniline (CID 67968158) is 2-fluoro-3,6-dimethylaniline.
What is the SMILES notation for 2-fluoro-3,6-dimethylaniline?
The canonical SMILES for 2-fluoro-3,6-dimethylaniline is Cc1ccc(C)c(F)c1N.
What is the InChIKey of 2-fluoro-3,6-dimethylaniline?
The InChIKey is ARFCSDYGWXHNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-5-3-4-6(2)8(10)7(5)9/h3-4H,10H2,1-2H3.
What are the key properties of 2-fluoro-3,6-dimethylaniline?
2-fluoro-3,6-dimethylaniline has a molecular weight of 139.17 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,6-dimethylaniline is sourced from PubChem (CID 67968158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).