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

C11H14ClF3N2O — CID 178036037

IUPACcyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NC(c1ccnc(OCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)6-17-9-5-8(3-4-16-9)10(15)7-1-2-7;/h3-5,7,10H,1-2,6,15H2;1H
InChIKeyHLJGNAODAXKHLU-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.85
Rot. Bonds4

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

cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride (PubChem CID 178036037) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
PubChem CID178036037
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Namecyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NC(c1ccnc(OCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)6-17-9-5-8(3-4-16-9)10(15)7-1-2-7;/h3-5,7,10H,1-2,6,15H2;1H
InChIKeyHLJGNAODAXKHLU-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The IUPAC name of cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride (CID 178036037) is cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride is Cl.NC(c1ccnc(OCC(F)(F)F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The InChIKey is HLJGNAODAXKHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c12-11(13,14)6-17-9-5-8(3-4-16-9)10(15)7-1-2-7;/h3-5,7,10H,1-2,6,15H2;1H.
What are the key properties of cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 178036037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).