[6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride

C8H11ClF2N2O — CID 165456784

IUPAC[6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(OCC(F)F)n1
InChIInChI=1S/C8H10F2N2O.ClH/c9-7(10)5-13-8-3-1-2-6(4-11)12-8;/h1-3,7H,4-5,11H2;1H
InChIKeyVDLCDEIANQONNP-UHFFFAOYSA-N
MW224.64 g/mol
LogP1.61
Rot. Bonds4

About [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride

[6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride (PubChem CID 165456784) has the molecular formula C8H11ClF2N2O and a molecular weight of 224.64 g/mol. Its IUPAC name is [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride
PubChem CID165456784
Molecular FormulaC8H11ClF2N2O
Molecular Weight224.64 g/mol
Exact Mass224.05
IUPAC Name[6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(OCC(F)F)n1
InChIInChI=1S/C8H10F2N2O.ClH/c9-7(10)5-13-8-3-1-2-6(4-11)12-8;/h1-3,7H,4-5,11H2;1H
InChIKeyVDLCDEIANQONNP-UHFFFAOYSA-N
XLogP1.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride (CID 165456784) is [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride is Cl.NCc1cccc(OCC(F)F)n1.
What is the InChIKey of [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride?
The InChIKey is VDLCDEIANQONNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O.ClH/c9-7(10)5-13-8-3-1-2-6(4-11)12-8;/h1-3,7H,4-5,11H2;1H.
What are the key properties of [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride?
[6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride has a molecular weight of 224.64 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 165456784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).