5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride

C7H5ClF2N2O2 — CID 121268136

IUPAC5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride
SMILESO=C(Cl)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H5ClF2N2O2/c8-7(13)4-1-12-6(2-11-4)14-3-5(9)10/h1-2,5H,3H2
InChIKeyYMPDXOSWMXOXAF-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.50
Rot. Bonds4

About 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride

5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride (PubChem CID 121268136) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride
PubChem CID121268136
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride
SMILESO=C(Cl)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H5ClF2N2O2/c8-7(13)4-1-12-6(2-11-4)14-3-5(9)10/h1-2,5H,3H2
InChIKeyYMPDXOSWMXOXAF-UHFFFAOYSA-N
XLogP1.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxypyrazine-2-carbonyl chloride
CID 45081638
5-methoxypyrazine-2-carbonyl chloride
CID 119084220
[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine
CID 82004607
5-chloro-2-(2,2-difluoroethoxy)pyridine
CID 82005471
methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate
CID 86728150
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane
CID 58303305
2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde
CID 118255814
2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 87426370
6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
CID 82004872
N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
CID 123916988
2-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethanone
CID 147940142

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride?
The IUPAC name of 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride (CID 121268136) is 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride?
The canonical SMILES for 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride is O=C(Cl)c1cnc(OCC(F)F)cn1.
What is the InChIKey of 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride?
The InChIKey is YMPDXOSWMXOXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-7(13)4-1-12-6(2-11-4)14-3-5(9)10/h1-2,5H,3H2.
What are the key properties of 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride?
5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride has a molecular weight of 222.58 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride is sourced from PubChem (CID 121268136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).