2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine

C8H11F2N3O — CID 119031460

IUPAC2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
SMILESNCC(F)(F)c1n[nH]c2c1COCC2
InChIInChI=1S/C8H11F2N3O/c9-8(10,4-11)7-5-3-14-2-1-6(5)12-13-7/h1-4,11H2,(H,12,13)
InChIKeyLARDQFQAXOJJBH-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.53
Rot. Bonds2

About 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine

2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine (PubChem CID 119031460) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
PubChem CID119031460
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
SMILESNCC(F)(F)c1n[nH]c2c1COCC2
InChIInChI=1S/C8H11F2N3O/c9-8(10,4-11)7-5-3-14-2-1-6(5)12-13-7/h1-4,11H2,(H,12,13)
InChIKeyLARDQFQAXOJJBH-UHFFFAOYSA-N
XLogP0.53
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine (CID 119031460) is 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine is NCC(F)(F)c1n[nH]c2c1COCC2.
What is the InChIKey of 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine?
The InChIKey is LARDQFQAXOJJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-8(10,4-11)7-5-3-14-2-1-6(5)12-13-7/h1-4,11H2,(H,12,13).
What are the key properties of 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine?
2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine has a molecular weight of 203.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine is sourced from PubChem (CID 119031460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).