2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide

C11H11F3N2O — CID 130638230

IUPAC2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
SMILESO=C(NC1CNc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(17)16-8-5-7-3-1-2-4-9(7)15-6-8/h1-4,8,15H,5-6H2,(H,16,17)
InChIKeyPIEGVWOWBTXKST-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.70
Rot. Bonds1

About 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide

2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide (PubChem CID 130638230) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
PubChem CID130638230
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
SMILESO=C(NC1CNc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(17)16-8-5-7-3-1-2-4-9(7)15-6-8/h1-4,8,15H,5-6H2,(H,16,17)
InChIKeyPIEGVWOWBTXKST-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide (CID 130638230) is 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide is O=C(NC1CNc2ccccc2C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide?
The InChIKey is PIEGVWOWBTXKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)10(17)16-8-5-7-3-1-2-4-9(7)15-6-8/h1-4,8,15H,5-6H2,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide?
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide has a molecular weight of 244.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide is sourced from PubChem (CID 130638230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).