2-(2-fluoroethoxy)-4-nitrobenzonitrile

C9H7FN2O3 — CID 118262727

IUPAC2-(2-fluoroethoxy)-4-nitrobenzonitrile
SMILESN#Cc1ccc([N+](=O)[O-])cc1OCCF
InChIInChI=1S/C9H7FN2O3/c10-3-4-15-9-5-8(12(13)14)2-1-7(9)6-11/h1-2,5H,3-4H2
InChIKeyNSXAUQPCYIZWRF-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.81
Rot. Bonds4

About 2-(2-fluoroethoxy)-4-nitrobenzonitrile

2-(2-fluoroethoxy)-4-nitrobenzonitrile (PubChem CID 118262727) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-4-nitrobenzonitrile.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-4-nitrobenzonitrile
PubChem CID118262727
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name2-(2-fluoroethoxy)-4-nitrobenzonitrile
SMILESN#Cc1ccc([N+](=O)[O-])cc1OCCF
InChIInChI=1S/C9H7FN2O3/c10-3-4-15-9-5-8(12(13)14)2-1-7(9)6-11/h1-2,5H,3-4H2
InChIKeyNSXAUQPCYIZWRF-UHFFFAOYSA-N
XLogP1.81
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-4-nitrobenzonitrile
CID 21075384
tert-butyl 4-(2-cyano-5-nitrophenoxy)butanoate
CID 54364895
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
2-[(E)-4-bromobut-2-enoxy]-4-nitrobenzonitrile
CID 59809845
2-(2-ethoxyethoxy)-5-nitrobenzonitrile
CID 113324288
2-(2,2-difluoroethoxy)-5-nitrobenzonitrile
CID 82003857
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
tert-butyl N-[2-(2-cyano-5-nitrophenoxy)ethyl]-N-ethylcarbamate
CID 141316192
5-bromo-2-(2-fluoroethoxy)benzonitrile
CID 80601674
4-chloro-2-[(2-chloro-4-nitrophenyl)methoxy]benzonitrile
CID 114322789

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-4-nitrobenzonitrile?
The IUPAC name of 2-(2-fluoroethoxy)-4-nitrobenzonitrile (CID 118262727) is 2-(2-fluoroethoxy)-4-nitrobenzonitrile.
What is the SMILES notation for 2-(2-fluoroethoxy)-4-nitrobenzonitrile?
The canonical SMILES for 2-(2-fluoroethoxy)-4-nitrobenzonitrile is N#Cc1ccc([N+](=O)[O-])cc1OCCF.
What is the InChIKey of 2-(2-fluoroethoxy)-4-nitrobenzonitrile?
The InChIKey is NSXAUQPCYIZWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c10-3-4-15-9-5-8(12(13)14)2-1-7(9)6-11/h1-2,5H,3-4H2.
What are the key properties of 2-(2-fluoroethoxy)-4-nitrobenzonitrile?
2-(2-fluoroethoxy)-4-nitrobenzonitrile has a molecular weight of 210.16 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-4-nitrobenzonitrile is sourced from PubChem (CID 118262727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).