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

C15H11F2NO — CID 113411841

IUPAC2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
SMILESCc1cc(F)ccc1COc1cccc(F)c1C#N
InChIInChI=1S/C15H11F2NO/c1-10-7-12(16)6-5-11(10)9-19-15-4-2-3-14(17)13(15)8-18/h2-7H,9H2,1H3
InChIKeyKPBOCHSFEUQDIA-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.72
Rot. Bonds3

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

2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile (PubChem CID 113411841) has the molecular formula C15H11F2NO and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
PubChem CID113411841
Molecular FormulaC15H11F2NO
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
SMILESCc1cc(F)ccc1COc1cccc(F)c1C#N
InChIInChI=1S/C15H11F2NO/c1-10-7-12(16)6-5-11(10)9-19-15-4-2-3-14(17)13(15)8-18/h2-7H,9H2,1H3
InChIKeyKPBOCHSFEUQDIA-UHFFFAOYSA-N
XLogP3.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383
5-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 114345639
2-[(4-cyano-3-methoxyphenyl)methoxy]-6-fluorobenzonitrile
CID 106788587
2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107348702
2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile
CID 102616082
4-[[2-(2-aminoethyl)-4-fluorophenoxy]methyl]-3-methylbenzonitrile
CID 107699998
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile
CID 79764862
2-(3,3-dimethylbutoxy)-6-fluorobenzonitrile
CID 79513134

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile (CID 113411841) is 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile is Cc1cc(F)ccc1COc1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile?
The InChIKey is KPBOCHSFEUQDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c1-10-7-12(16)6-5-11(10)9-19-15-4-2-3-14(17)13(15)8-18/h2-7H,9H2,1H3.
What are the key properties of 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile?
2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile has a molecular weight of 259.25 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 113411841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).