2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile

C14H8F2N2O3 — CID 107348702

IUPAC2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H8F2N2O3/c15-11-4-2-6-13(10(11)7-17)21-8-9-3-1-5-12(14(9)16)18(19)20/h1-6H,8H2
InChIKeyZMXZQIGEIDGMMN-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.32
Rot. Bonds4

About 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile

2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile (PubChem CID 107348702) has the molecular formula C14H8F2N2O3 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
PubChem CID107348702
Molecular FormulaC14H8F2N2O3
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H8F2N2O3/c15-11-4-2-6-13(10(11)7-17)21-8-9-3-1-5-12(14(9)16)18(19)20/h1-6H,8H2
InChIKeyZMXZQIGEIDGMMN-UHFFFAOYSA-N
XLogP3.32
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.32
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

4-chloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107349534
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile
CID 79015665
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
2-fluoro-3-[(2-methyl-3-nitrophenoxy)methyl]benzonitrile
CID 103886701
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 113411841
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile (CID 107348702) is 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile is N#Cc1c(F)cccc1OCc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile?
The InChIKey is ZMXZQIGEIDGMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O3/c15-11-4-2-6-13(10(11)7-17)21-8-9-3-1-5-12(14(9)16)18(19)20/h1-6H,8H2.
What are the key properties of 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile?
2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile has a molecular weight of 290.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile is sourced from PubChem (CID 107348702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).