2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid

C8H10F3NO2 — CID 174658860

IUPAC2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid
SMILESO=C(O)C1(C(F)C(F)F)CCC=CN1
InChIInChI=1S/C8H10F3NO2/c9-5(6(10)11)8(7(13)14)3-1-2-4-12-8/h2,4-6,12H,1,3H2,(H,13,14)
InChIKeyZNNMDHQDGSYIFN-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.31
Rot. Bonds3

About 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid

2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid (PubChem CID 174658860) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid
PubChem CID174658860
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid
SMILESO=C(O)C1(C(F)C(F)F)CCC=CN1
InChIInChI=1S/C8H10F3NO2/c9-5(6(10)11)8(7(13)14)3-1-2-4-12-8/h2,4-6,12H,1,3H2,(H,13,14)
InChIKeyZNNMDHQDGSYIFN-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid?
The IUPAC name of 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid (CID 174658860) is 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid is O=C(O)C1(C(F)C(F)F)CCC=CN1.
What is the InChIKey of 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid?
The InChIKey is ZNNMDHQDGSYIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-5(6(10)11)8(7(13)14)3-1-2-4-12-8/h2,4-6,12H,1,3H2,(H,13,14).
What are the key properties of 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid?
2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid has a molecular weight of 209.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethyl)-3,4-dihydro-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 174658860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).