2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile

C14H12F3N3 — CID 105378881

IUPAC2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESCc1ccc2cc(C(C#N)NCC(F)(F)F)ccc2n1
InChIInChI=1S/C14H12F3N3/c1-9-2-3-10-6-11(4-5-12(10)20-9)13(7-18)19-8-14(15,16)17/h2-6,13,19H,8H2,1H3
InChIKeyBAIKPSWCVGGIER-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.26
Rot. Bonds3

About 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile

2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile (PubChem CID 105378881) has the molecular formula C14H12F3N3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
PubChem CID105378881
Molecular FormulaC14H12F3N3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESCc1ccc2cc(C(C#N)NCC(F)(F)F)ccc2n1
InChIInChI=1S/C14H12F3N3/c1-9-2-3-10-6-11(4-5-12(10)20-9)13(7-18)19-8-14(15,16)17/h2-6,13,19H,8H2,1H3
InChIKeyBAIKPSWCVGGIER-UHFFFAOYSA-N
XLogP3.26
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The IUPAC name of 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile (CID 105378881) is 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile.
What is the SMILES notation for 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The canonical SMILES for 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile is Cc1ccc2cc(C(C#N)NCC(F)(F)F)ccc2n1.
What is the InChIKey of 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The InChIKey is BAIKPSWCVGGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3/c1-9-2-3-10-6-11(4-5-12(10)20-9)13(7-18)19-8-14(15,16)17/h2-6,13,19H,8H2,1H3.
What are the key properties of 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile has a molecular weight of 279.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile is sourced from PubChem (CID 105378881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).