2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile

C15H17FN2O — CID 163390412

IUPAC2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile
SMILESCN1CC2CC1CC2OCc1ccc(C#N)c(F)c1
InChIInChI=1S/C15H17FN2O/c1-18-8-12-5-13(18)6-15(12)19-9-10-2-3-11(7-17)14(16)4-10/h2-4,12-13,15H,5-6,8-9H2,1H3
InChIKeyBWMWPHKTMRQZOQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.31
Rot. Bonds3

About 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile

2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile (PubChem CID 163390412) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile
PubChem CID163390412
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile
SMILESCN1CC2CC1CC2OCc1ccc(C#N)c(F)c1
InChIInChI=1S/C15H17FN2O/c1-18-8-12-5-13(18)6-15(12)19-9-10-2-3-11(7-17)14(16)4-10/h2-4,12-13,15H,5-6,8-9H2,1H3
InChIKeyBWMWPHKTMRQZOQ-UHFFFAOYSA-N
XLogP2.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117276304
4-(bromomethyl)-2-fluorobenzonitrile;ethane;2-iodopropane
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2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]benzonitrile
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2-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzonitrile
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CID 71241186
3-[(1S,4R,5R)-5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptane-2-carbonyl]benzonitrile
CID 124784272
2-fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxymethyl]benzonitrile
CID 156892063
2-fluoro-4-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]benzonitrile
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2-fluoro-4-(nitrosomethyl)benzonitrile
CID 123142497
2-fluoro-4-(3,4,5-trimethylpiperazin-1-yl)benzonitrile
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2-fluoro-4-[(methoxyboranylideneamino)methyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile (CID 163390412) is 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile is CN1CC2CC1CC2OCc1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile?
The InChIKey is BWMWPHKTMRQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18-8-12-5-13(18)6-15(12)19-9-10-2-3-11(7-17)14(16)4-10/h2-4,12-13,15H,5-6,8-9H2,1H3.
What are the key properties of 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile?
2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile has a molecular weight of 260.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 163390412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).