2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C8H13F2N3O — CID 103081272

IUPAC2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1ccn[nH]1
InChIInChI=1S/C8H13F2N3O/c9-8(10)6-14-4-3-11-5-7-1-2-12-13-7/h1-2,8,11H,3-6H2,(H,12,13)
InChIKeyPJDROVIRCFYWNG-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.78
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine

2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 103081272) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID103081272
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1ccn[nH]1
InChIInChI=1S/C8H13F2N3O/c9-8(10)6-14-4-3-11-5-7-1-2-12-13-7/h1-2,8,11H,3-6H2,(H,12,13)
InChIKeyPJDROVIRCFYWNG-UHFFFAOYSA-N
XLogP0.78
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 103081272) is 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine is FC(F)COCCNCc1ccn[nH]1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is PJDROVIRCFYWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c9-8(10)6-14-4-3-11-5-7-1-2-12-13-7/h1-2,8,11H,3-6H2,(H,12,13).
What are the key properties of 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 205.21 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 103081272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).