2,6-Difluorobenzamide

C7H5F2NO — CID 87439

IUPAC2,6-difluorobenzamide
SMILESC1=CC(=C(C(=C1)F)C(=O)N)F
InChIInChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
InChIKeyAVRQBXVUUXHRMY-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.30
Rot. Bonds1

About 2,6-Difluorobenzamide

2,6-Difluorobenzamide (PubChem CID 87439) has the molecular formula C7H5F2NO and a molecular weight of 157.12 g/mol. Its IUPAC name is 2,6-difluorobenzamide.

Molecular Properties

Compound Name2,6-Difluorobenzamide
PubChem CID87439
Molecular FormulaC7H5F2NO
Molecular Weight157.12 g/mol
Exact Mass157.03
IUPAC Name2,6-difluorobenzamide
SMILESC1=CC(=C(C(=C1)F)C(=O)N)F
InChIInChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
InChIKeyAVRQBXVUUXHRMY-UHFFFAOYSA-N
XLogP0.30
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity153

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-Difluorobenzamide?
The IUPAC name of 2,6-Difluorobenzamide (CID 87439) is 2,6-difluorobenzamide.
What is the SMILES notation for 2,6-Difluorobenzamide?
The canonical SMILES for 2,6-Difluorobenzamide is C1=CC(=C(C(=C1)F)C(=O)N)F.
What is the InChIKey of 2,6-Difluorobenzamide?
The InChIKey is AVRQBXVUUXHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11).
What are the key properties of 2,6-Difluorobenzamide?
2,6-Difluorobenzamide has a molecular weight of 157.12 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-Difluorobenzamide is sourced from PubChem (CID 87439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).