3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide

C14H13F3N2O — CID 166437551

IUPAC3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-13(2,14(15,16)17)12(20)19-10-7-3-5-9-6-4-8-18-11(9)10/h3-8H,1-2H3,(H,19,20)
InChIKeyGLGBNEVPAQDIOF-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.76
Rot. Bonds2

About 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide

3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide (PubChem CID 166437551) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide
PubChem CID166437551
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-13(2,14(15,16)17)12(20)19-10-7-3-5-9-6-4-8-18-11(9)10/h3-8H,1-2H3,(H,19,20)
InChIKeyGLGBNEVPAQDIOF-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide (CID 166437551) is 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide is CC(C)(C(=O)Nc1cccc2cccnc12)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide?
The InChIKey is GLGBNEVPAQDIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-13(2,14(15,16)17)12(20)19-10-7-3-5-9-6-4-8-18-11(9)10/h3-8H,1-2H3,(H,19,20).
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide?
3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide has a molecular weight of 282.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethyl-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 166437551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).