5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid

C7H8F3NO2 — CID 105448668

IUPAC5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid
SMILESO=C(O)C1=C(C(F)(F)F)CNCC1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h11H,1-3H2,(H,12,13)
InChIKeyYAUSPAOOCUZLRK-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.92
Rot. Bonds1

About 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid

5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid (PubChem CID 105448668) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid
PubChem CID105448668
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid
SMILESO=C(O)C1=C(C(F)(F)F)CNCC1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h11H,1-3H2,(H,12,13)
InChIKeyYAUSPAOOCUZLRK-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid (CID 105448668) is 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid is O=C(O)C1=C(C(F)(F)F)CNCC1.
What is the InChIKey of 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid?
The InChIKey is YAUSPAOOCUZLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h11H,1-3H2,(H,12,13).
What are the key properties of 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid?
5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid has a molecular weight of 195.14 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid is sourced from PubChem (CID 105448668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).