3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol

C9H12F2N2O2 — CID 103147800

IUPAC3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol
SMILESOC(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C9H12F2N2O2/c10-9(11)6-15-4-1-8(14)7-5-12-2-3-13-7/h2-3,5,8-9,14H,1,4,6H2
InChIKeyJGRUOMKNICAQAV-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.18
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol

3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol (PubChem CID 103147800) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol
PubChem CID103147800
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol
SMILESOC(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C9H12F2N2O2/c10-9(11)6-15-4-1-8(14)7-5-12-2-3-13-7/h2-3,5,8-9,14H,1,4,6H2
InChIKeyJGRUOMKNICAQAV-UHFFFAOYSA-N
XLogP1.18
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Deoxyfuctosazine
CID 321247
Fructosazine
CID 493590
1-[5-(1,2,3,4-Tetrahydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 11956719
1-[6-(2,3,4-Trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 12285901
Deoxyfructosazine
CID 73452
1,2,3,4-Butanetetrol, 1-(5-methylpyrazinyl)-, (1R-(1R*,2S*,3R*))-
CID 202871
1,2,3,4-Butanetetrol, 1-(6-methylpyrazinyl)-, (1R-(1R*,2S*,3R*))-
CID 202926
(1R,2S,3R)-1-[6-[(2R,3S)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 162990888
Tagatosazine
CID 166770
ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate
CID 135080474
1-[5-(2,3,4-Trihydroxybutyl)pyrazin-2-yl]butane-1,1,2,2-tetrol
CID 18368421
2,5-Bis-(tetrahydroxybutyl)-pyrazine
CID 87151883

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol (CID 103147800) is 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol is OC(CCOCC(F)F)c1cnccn1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol?
The InChIKey is JGRUOMKNICAQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c10-9(11)6-15-4-1-8(14)7-5-12-2-3-13-7/h2-3,5,8-9,14H,1,4,6H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol?
3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol has a molecular weight of 218.20 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol is sourced from PubChem (CID 103147800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).