2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile

C14H10F2N2 — CID 43399512

IUPAC2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccccc1F
InChIInChI=1S/C14H10F2N2/c15-12-5-2-1-4-10(12)9-18-14-7-3-6-13(16)11(14)8-17/h1-7,18H,9H2
InChIKeyWQQOUHLIVRTQMK-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.45
Rot. Bonds3

About 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile

2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile (PubChem CID 43399512) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
PubChem CID43399512
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccccc1F
InChIInChI=1S/C14H10F2N2/c15-12-5-2-1-4-10(12)9-18-14-7-3-6-13(16)11(14)8-17/h1-7,18H,9H2
InChIKeyWQQOUHLIVRTQMK-UHFFFAOYSA-N
XLogP3.45
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]benzonitrile
CID 52679192
2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
CID 65316370
2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile
CID 8569009
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-[(4-cyano-2-methylphenyl)methylamino]-6-fluorobenzonitrile
CID 114479886
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)benzonitrile
CID 80649907
2-[(2,5-dimethoxyphenyl)methylamino]-6-fluorobenzonitrile
CID 31664189
2-fluoro-6-[(5-iodofuran-2-yl)methylamino]benzonitrile
CID 43778297

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile (CID 43399512) is 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile is N#Cc1c(F)cccc1NCc1ccccc1F.
What is the InChIKey of 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile?
The InChIKey is WQQOUHLIVRTQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c15-12-5-2-1-4-10(12)9-18-14-7-3-6-13(16)11(14)8-17/h1-7,18H,9H2.
What are the key properties of 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile?
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile has a molecular weight of 244.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 43399512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).