2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile

C16H12F2N2O — CID 133295832

IUPAC2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
SMILESN#Cc1c(F)cccc1NC1CCOc2ccc(F)cc21
InChIInChI=1S/C16H12F2N2O/c17-10-4-5-16-11(8-10)15(6-7-21-16)20-14-3-1-2-13(18)12(14)9-19/h1-5,8,15,20H,6-7H2
InChIKeyBZGVGOBGRUNGOV-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.77
Rot. Bonds2

About 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile

2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile (PubChem CID 133295832) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
PubChem CID133295832
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
SMILESN#Cc1c(F)cccc1NC1CCOc2ccc(F)cc21
InChIInChI=1S/C16H12F2N2O/c17-10-4-5-16-11(8-10)15(6-7-21-16)20-14-3-1-2-13(18)12(14)9-19/h1-5,8,15,20H,6-7H2
InChIKeyBZGVGOBGRUNGOV-UHFFFAOYSA-N
XLogP3.77
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile (CID 133295832) is 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile is N#Cc1c(F)cccc1NC1CCOc2ccc(F)cc21.
What is the InChIKey of 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile?
The InChIKey is BZGVGOBGRUNGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-10-4-5-16-11(8-10)15(6-7-21-16)20-14-3-1-2-13(18)12(14)9-19/h1-5,8,15,20H,6-7H2.
What are the key properties of 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile?
2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile has a molecular weight of 286.28 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile is sourced from PubChem (CID 133295832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).