(2,6-difluorophenyl) nitrite

C6H3F2NO2 — CID 174766918

IUPAC(2,6-difluorophenyl) nitrite
SMILESO=NOc1c(F)cccc1F
InChIInChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)11-9-10/h1-3H
InChIKeyDKTDFRYFCIBZOL-UHFFFAOYSA-N
MW159.09 g/mol
LogP2.03
Rot. Bonds2

About (2,6-difluorophenyl) nitrite

(2,6-difluorophenyl) nitrite (PubChem CID 174766918) has the molecular formula C6H3F2NO2 and a molecular weight of 159.09 g/mol. Its IUPAC name is (2,6-difluorophenyl) nitrite.

Molecular Properties

Compound Name(2,6-difluorophenyl) nitrite
PubChem CID174766918
Molecular FormulaC6H3F2NO2
Molecular Weight159.09 g/mol
Exact Mass159.01
IUPAC Name(2,6-difluorophenyl) nitrite
SMILESO=NOc1c(F)cccc1F
InChIInChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)11-9-10/h1-3H
InChIKeyDKTDFRYFCIBZOL-UHFFFAOYSA-N
XLogP2.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,6-difluorophenyl) nitrite 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 (2,6-difluorophenyl) nitrite?
The IUPAC name of (2,6-difluorophenyl) nitrite (CID 174766918) is (2,6-difluorophenyl) nitrite.
What is the SMILES notation for (2,6-difluorophenyl) nitrite?
The canonical SMILES for (2,6-difluorophenyl) nitrite is O=NOc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl) nitrite?
The InChIKey is DKTDFRYFCIBZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)11-9-10/h1-3H.
What are the key properties of (2,6-difluorophenyl) nitrite?
(2,6-difluorophenyl) nitrite has a molecular weight of 159.09 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl) nitrite is sourced from PubChem (CID 174766918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).