2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile

C17H19FN2 — CID 63477105

IUPAC2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
SMILESN#Cc1cc(NC2CC3CC2C2CCCC32)ccc1F
InChIInChI=1S/C17H19FN2/c18-16-5-4-12(6-11(16)9-19)20-17-8-10-7-15(17)14-3-1-2-13(10)14/h4-6,10,13-15,17,20H,1-3,7-8H2
InChIKeyBYXKEJPGCBSOPO-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.93
Rot. Bonds2

About 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile

2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile (PubChem CID 63477105) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
PubChem CID63477105
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
SMILESN#Cc1cc(NC2CC3CC2C2CCCC32)ccc1F
InChIInChI=1S/C17H19FN2/c18-16-5-4-12(6-11(16)9-19)20-17-8-10-7-15(17)14-3-1-2-13(10)14/h4-6,10,13-15,17,20H,1-3,7-8H2
InChIKeyBYXKEJPGCBSOPO-UHFFFAOYSA-N
XLogP3.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile?
The IUPAC name of 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile (CID 63477105) is 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile?
The canonical SMILES for 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile is N#Cc1cc(NC2CC3CC2C2CCCC32)ccc1F.
What is the InChIKey of 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile?
The InChIKey is BYXKEJPGCBSOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-16-5-4-12(6-11(16)9-19)20-17-8-10-7-15(17)14-3-1-2-13(10)14/h4-6,10,13-15,17,20H,1-3,7-8H2.
What are the key properties of 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile?
2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile has a molecular weight of 270.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile is sourced from PubChem (CID 63477105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).