[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride

C8H10ClF3N2O — CID 69182321

IUPAC[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O.ClH/c9-8(10,11)5-14-7-3-6(4-12)1-2-13-7;/h1-3H,4-5,12H2;1H
InChIKeyCQANZRNJPRGMIH-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.90
Rot. Bonds3

About [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride

[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride (PubChem CID 69182321) has the molecular formula C8H10ClF3N2O and a molecular weight of 242.63 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
PubChem CID69182321
Molecular FormulaC8H10ClF3N2O
Molecular Weight242.63 g/mol
Exact Mass242.04
IUPAC Name[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O.ClH/c9-8(10,11)5-14-7-3-6(4-12)1-2-13-7;/h1-3H,4-5,12H2;1H
InChIKeyCQANZRNJPRGMIH-UHFFFAOYSA-N
XLogP1.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride (CID 69182321) is [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride is Cl.NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The InChIKey is CQANZRNJPRGMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O.ClH/c9-8(10,11)5-14-7-3-6(4-12)1-2-13-7;/h1-3H,4-5,12H2;1H.
What are the key properties of [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride has a molecular weight of 242.63 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 69182321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).