2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile

C12H7F3N2 — CID 82243374

IUPAC2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile
SMILESN#CCc1ccc2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)10-3-1-2-8-4-5-9(6-7-16)17-11(8)10/h1-5H,6H2
InChIKeySHIXLUXBEACTBA-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.32
Rot. Bonds1

About 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile

2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile (PubChem CID 82243374) has the molecular formula C12H7F3N2 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile
PubChem CID82243374
Molecular FormulaC12H7F3N2
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile
SMILESN#CCc1ccc2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)10-3-1-2-8-4-5-9(6-7-16)17-11(8)10/h1-5H,6H2
InChIKeySHIXLUXBEACTBA-UHFFFAOYSA-N
XLogP3.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
2-[6-bromo-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 119004648
2-[5-amino-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623963
2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 119014714
2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline
CID 140769903
2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline
CID 101096726
2-[5-(difluoromethyl)-6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029134
2-[(2S,3S)-3-methyloxiran-2-yl]-8-(trifluoromethyl)quinoline
CID 101096730
2-[5-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 118836007
2-prop-2-ynylquinolin-8-ol
CID 87394450
2-[6-fluoro-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 133089736
CID 89407865
CID 89407865

Frequently Asked Questions

What is the IUPAC name of 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile?
The IUPAC name of 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile (CID 82243374) is 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile.
What is the SMILES notation for 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile?
The canonical SMILES for 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile is N#CCc1ccc2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile?
The InChIKey is SHIXLUXBEACTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2/c13-12(14,15)10-3-1-2-8-4-5-9(6-7-16)17-11(8)10/h1-5H,6H2.
What are the key properties of 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile?
2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile has a molecular weight of 236.20 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile is sourced from PubChem (CID 82243374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).