2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine

C8H10F2N2O — CID 112756663

IUPAC2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine
SMILESCOc1cccc(C(F)(F)CN)n1
InChIInChI=1S/C8H10F2N2O/c1-13-7-4-2-3-6(12-7)8(9,10)5-11/h2-4H,5,11H2,1H3
InChIKeySHGIBWPSNUWIMP-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.14
Rot. Bonds3

About 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine

2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine (PubChem CID 112756663) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine
PubChem CID112756663
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine
SMILESCOc1cccc(C(F)(F)CN)n1
InChIInChI=1S/C8H10F2N2O/c1-13-7-4-2-3-6(12-7)8(9,10)5-11/h2-4H,5,11H2,1H3
InChIKeySHGIBWPSNUWIMP-UHFFFAOYSA-N
XLogP1.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine (CID 112756663) is 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine is COc1cccc(C(F)(F)CN)n1.
What is the InChIKey of 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine?
The InChIKey is SHGIBWPSNUWIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-13-7-4-2-3-6(12-7)8(9,10)5-11/h2-4H,5,11H2,1H3.
What are the key properties of 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine?
2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine has a molecular weight of 188.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 112756663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).