(2-amino-4-fluorophenyl) nitrite

C6H5FN2O2 — CID 76851388

IUPAC(2-amino-4-fluorophenyl) nitrite
SMILESNc1cc(F)ccc1ON=O
InChIInChI=1S/C6H5FN2O2/c7-4-1-2-6(11-9-10)5(8)3-4/h1-3H,8H2
InChIKeyVRJKGJFRGPBKBL-UHFFFAOYSA-N
MW156.12 g/mol
LogP1.47
Rot. Bonds2

About (2-amino-4-fluorophenyl) nitrite

(2-amino-4-fluorophenyl) nitrite (PubChem CID 76851388) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl) nitrite.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl) nitrite
PubChem CID76851388
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name(2-amino-4-fluorophenyl) nitrite
SMILESNc1cc(F)ccc1ON=O
InChIInChI=1S/C6H5FN2O2/c7-4-1-2-6(11-9-10)5(8)3-4/h1-3H,8H2
InChIKeyVRJKGJFRGPBKBL-UHFFFAOYSA-N
XLogP1.47
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
2-(4-chlorophenoxy)-5-fluoroaniline
CID 26189667
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
5-fluoro-2-quinoxalin-2-yloxyaniline
CID 62369839

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl) nitrite?
The IUPAC name of (2-amino-4-fluorophenyl) nitrite (CID 76851388) is (2-amino-4-fluorophenyl) nitrite.
What is the SMILES notation for (2-amino-4-fluorophenyl) nitrite?
The canonical SMILES for (2-amino-4-fluorophenyl) nitrite is Nc1cc(F)ccc1ON=O.
What is the InChIKey of (2-amino-4-fluorophenyl) nitrite?
The InChIKey is VRJKGJFRGPBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c7-4-1-2-6(11-9-10)5(8)3-4/h1-3H,8H2.
What are the key properties of (2-amino-4-fluorophenyl) nitrite?
(2-amino-4-fluorophenyl) nitrite has a molecular weight of 156.12 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl) nitrite is sourced from PubChem (CID 76851388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).