2-(2-fluoro-4-nitrophenoxy)acetonitrile

C8H5FN2O3 — CID 60772665

IUPAC2-(2-fluoro-4-nitrophenoxy)acetonitrile
SMILESN#CCOc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H5FN2O3/c9-7-5-6(11(12)13)1-2-8(7)14-4-3-10/h1-2,5H,4H2
InChIKeyVNZPXITZONSCFZ-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.64
Rot. Bonds3

About 2-(2-fluoro-4-nitrophenoxy)acetonitrile

2-(2-fluoro-4-nitrophenoxy)acetonitrile (PubChem CID 60772665) has the molecular formula C8H5FN2O3 and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)acetonitrile
PubChem CID60772665
Molecular FormulaC8H5FN2O3
Molecular Weight196.14 g/mol
Exact Mass196.03
IUPAC Name2-(2-fluoro-4-nitrophenoxy)acetonitrile
SMILESN#CCOc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H5FN2O3/c9-7-5-6(11(12)13)1-2-8(7)14-4-3-10/h1-2,5H,4H2
InChIKeyVNZPXITZONSCFZ-UHFFFAOYSA-N
XLogP1.64
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.64
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

1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
4-(2-fluoro-4-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65256974
3-(2-fluoro-4-nitrophenoxy)propanal
CID 63039286
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
4-[(2-amino-5-nitrophenyl)methoxy]-3-fluorobenzonitrile
CID 107668142
2-[2-(ethylaminomethyl)-4-nitrophenoxy]acetonitrile
CID 60889390
2-(4-bromo-2-fluorophenoxy)acetonitrile
CID 43084322
2-[4-nitro-2-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889980
1-(2,2-diethoxyethoxy)-2-fluoro-4-nitrobenzene
CID 63630430

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)acetonitrile?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)acetonitrile (CID 60772665) is 2-(2-fluoro-4-nitrophenoxy)acetonitrile.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)acetonitrile?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)acetonitrile is N#CCOc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)acetonitrile?
The InChIKey is VNZPXITZONSCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O3/c9-7-5-6(11(12)13)1-2-8(7)14-4-3-10/h1-2,5H,4H2.
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)acetonitrile?
2-(2-fluoro-4-nitrophenoxy)acetonitrile has a molecular weight of 196.14 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenoxy)acetonitrile is sourced from PubChem (CID 60772665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).