2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile

C14H9FN2O3 — CID 79015665

IUPAC2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9FN2O3/c15-13-2-1-3-14(12(13)8-16)20-9-10-4-6-11(7-5-10)17(18)19/h1-7H,9H2
InChIKeyDZRHVPBAMUPBRP-UHFFFAOYSA-N
MW272.24 g/mol
LogP3.18
Rot. Bonds4

About 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile

2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile (PubChem CID 79015665) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile
PubChem CID79015665
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9FN2O3/c15-13-2-1-3-14(12(13)8-16)20-9-10-4-6-11(7-5-10)17(18)19/h1-7H,9H2
InChIKeyDZRHVPBAMUPBRP-UHFFFAOYSA-N
XLogP3.18
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 53.18
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-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107348702
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
2-[(4-cyano-3-methoxyphenyl)methoxy]-6-fluorobenzonitrile
CID 106788587
2-[4-fluoro-3-[(4-nitrophenyl)methoxy]phenyl]acetonitrile
CID 22030638
1-[(4-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 65125963
1-bromo-2-[(4-nitrophenyl)methoxy]benzene
CID 24703938
4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
CID 107691106
2,4-diamino-6-[2-[(4-nitrophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397457
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955
6-methyl-4-[2-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586968

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile (CID 79015665) is 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile is N#Cc1c(F)cccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile?
The InChIKey is DZRHVPBAMUPBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-13-2-1-3-14(12(13)8-16)20-9-10-4-6-11(7-5-10)17(18)19/h1-7H,9H2.
What are the key properties of 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile?
2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile has a molecular weight of 272.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile is sourced from PubChem (CID 79015665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).