7-(trifluoromethyl)quinoline-2-carbonitrile

C11H5F3N2 — CID 75355798

IUPAC7-(trifluoromethyl)quinoline-2-carbonitrile
SMILESN#Cc1ccc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C11H5F3N2/c12-11(13,14)8-3-1-7-2-4-9(6-15)16-10(7)5-8/h1-5H
InChIKeyLAVRDEKJWSGNPB-UHFFFAOYSA-N
MW222.17 g/mol
LogP3.13
Rot. Bonds

About 7-(trifluoromethyl)quinoline-2-carbonitrile

7-(trifluoromethyl)quinoline-2-carbonitrile (PubChem CID 75355798) has the molecular formula C11H5F3N2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 7-(trifluoromethyl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name7-(trifluoromethyl)quinoline-2-carbonitrile
PubChem CID75355798
Molecular FormulaC11H5F3N2
Molecular Weight222.17 g/mol
Exact Mass222.04
IUPAC Name7-(trifluoromethyl)quinoline-2-carbonitrile
SMILESN#Cc1ccc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C11H5F3N2/c12-11(13,14)8-3-1-7-2-4-9(6-15)16-10(7)5-8/h1-5H
InChIKeyLAVRDEKJWSGNPB-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)quinoline-2-carbonitrile?
The IUPAC name of 7-(trifluoromethyl)quinoline-2-carbonitrile (CID 75355798) is 7-(trifluoromethyl)quinoline-2-carbonitrile.
What is the SMILES notation for 7-(trifluoromethyl)quinoline-2-carbonitrile?
The canonical SMILES for 7-(trifluoromethyl)quinoline-2-carbonitrile is N#Cc1ccc2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 7-(trifluoromethyl)quinoline-2-carbonitrile?
The InChIKey is LAVRDEKJWSGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2/c12-11(13,14)8-3-1-7-2-4-9(6-15)16-10(7)5-8/h1-5H.
What are the key properties of 7-(trifluoromethyl)quinoline-2-carbonitrile?
7-(trifluoromethyl)quinoline-2-carbonitrile has a molecular weight of 222.17 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)quinoline-2-carbonitrile is sourced from PubChem (CID 75355798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).