2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile

C17H12FN3 — CID 126674389

IUPAC2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C17H12FN3/c18-14-6-4-12(13-5-7-15(21)17(13)14)16-10(8-19)2-1-3-11(16)9-20/h1-4,6,15H,5,7,21H2/t15-/m1/s1
InChIKeyLTWVCPBTKWPDNW-OAHLLOKOSA-N
MW277.30 g/mol
LogP3.18
Rot. Bonds1

About 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile

2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile (PubChem CID 126674389) has the molecular formula C17H12FN3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile
PubChem CID126674389
Molecular FormulaC17H12FN3
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC Name2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C17H12FN3/c18-14-6-4-12(13-5-7-15(21)17(13)14)16-10(8-19)2-1-3-11(16)9-20/h1-4,6,15H,5,7,21H2/t15-/m1/s1
InChIKeyLTWVCPBTKWPDNW-OAHLLOKOSA-N
XLogP3.18
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile (CID 126674389) is 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc(F)c2c1CC[C@H]2N.
What is the InChIKey of 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile?
The InChIKey is LTWVCPBTKWPDNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H12FN3/c18-14-6-4-12(13-5-7-15(21)17(13)14)16-10(8-19)2-1-3-11(16)9-20/h1-4,6,15H,5,7,21H2/t15-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile?
2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile has a molecular weight of 277.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 126674389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).