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

C11H10F4N2O — CID 175270253

IUPAC2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(NC1NCC(F)c2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F4N2O/c12-8-5-16-9(17-10(18)11(13,14)15)7-4-2-1-3-6(7)8/h1-4,8-9,16H,5H2,(H,17,18)
InChIKeyOGQHQWVCNFKPHG-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.98
Rot. Bonds1

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

2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (PubChem CID 175270253) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
PubChem CID175270253
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(NC1NCC(F)c2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F4N2O/c12-8-5-16-9(17-10(18)11(13,14)15)7-4-2-1-3-6(7)8/h1-4,8-9,16H,5H2,(H,17,18)
InChIKeyOGQHQWVCNFKPHG-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.98
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-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (CID 175270253) is 2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is O=C(NC1NCC(F)c2ccccc21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The InChIKey is OGQHQWVCNFKPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O/c12-8-5-16-9(17-10(18)11(13,14)15)7-4-2-1-3-6(7)8/h1-4,8-9,16H,5H2,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
2,2,2-trifluoro-N-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide has a molecular weight of 262.21 g/mol, XLogP of 1.98, 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-(4-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 175270253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).