2-[6-(trifluoromethyl)quinolin-2-yl]acetamide

C12H9F3N2O — CID 110490458

IUPAC2-[6-(trifluoromethyl)quinolin-2-yl]acetamide
SMILESNC(=O)Cc1ccc2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-2-4-10-7(5-8)1-3-9(17-10)6-11(16)18/h1-5H,6H2,(H2,16,18)
InChIKeyHBFVAYLWVGPPOD-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.28
Rot. Bonds2

About 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide

2-[6-(trifluoromethyl)quinolin-2-yl]acetamide (PubChem CID 110490458) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)quinolin-2-yl]acetamide
PubChem CID110490458
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-[6-(trifluoromethyl)quinolin-2-yl]acetamide
SMILESNC(=O)Cc1ccc2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-2-4-10-7(5-8)1-3-9(17-10)6-11(16)18/h1-5H,6H2,(H2,16,18)
InChIKeyHBFVAYLWVGPPOD-UHFFFAOYSA-N
XLogP2.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide?
The IUPAC name of 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide (CID 110490458) is 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide.
What is the SMILES notation for 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide?
The canonical SMILES for 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide is NC(=O)Cc1ccc2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide?
The InChIKey is HBFVAYLWVGPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)8-2-4-10-7(5-8)1-3-9(17-10)6-11(16)18/h1-5H,6H2,(H2,16,18).
What are the key properties of 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide?
2-[6-(trifluoromethyl)quinolin-2-yl]acetamide has a molecular weight of 254.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)quinolin-2-yl]acetamide is sourced from PubChem (CID 110490458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).