2,6-difluoro-3-methylaniline

C7H7F2N — CID 15017536

IUPAC2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(N)c1F
InChIInChI=1S/C7H7F2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
InChIKeyZMNJSSZHDRBGNN-UHFFFAOYSA-N
MW143.14 g/mol
LogP1.86
Rot. Bonds

About 2,6-difluoro-3-methylaniline

2,6-difluoro-3-methylaniline (PubChem CID 15017536) has the molecular formula C7H7F2N and a molecular weight of 143.14 g/mol. Its IUPAC name is 2,6-difluoro-3-methylaniline.

Molecular Properties

Compound Name2,6-difluoro-3-methylaniline
PubChem CID15017536
Molecular FormulaC7H7F2N
Molecular Weight143.14 g/mol
Exact Mass143.05
IUPAC Name2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(N)c1F
InChIInChI=1S/C7H7F2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
InChIKeyZMNJSSZHDRBGNN-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 51.86
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 2,6-difluoro-3-methylaniline?
The IUPAC name of 2,6-difluoro-3-methylaniline (CID 15017536) is 2,6-difluoro-3-methylaniline.
What is the SMILES notation for 2,6-difluoro-3-methylaniline?
The canonical SMILES for 2,6-difluoro-3-methylaniline is Cc1ccc(F)c(N)c1F.
What is the InChIKey of 2,6-difluoro-3-methylaniline?
The InChIKey is ZMNJSSZHDRBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3.
What are the key properties of 2,6-difluoro-3-methylaniline?
2,6-difluoro-3-methylaniline has a molecular weight of 143.14 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methylaniline is sourced from PubChem (CID 15017536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).