ethane;2-ethyl-3-(trifluoromethoxy)pyrazine

C9H13F3N2O — CID 176552647

IUPACethane;2-ethyl-3-(trifluoromethoxy)pyrazine
SMILESCC.CCc1nccnc1OC(F)(F)F
InChIInChI=1S/C7H7F3N2O.C2H6/c1-2-5-6(12-4-3-11-5)13-7(8,9)10;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyPRSULYYKUQRCRU-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.96
Rot. Bonds2

About ethane;2-ethyl-3-(trifluoromethoxy)pyrazine

ethane;2-ethyl-3-(trifluoromethoxy)pyrazine (PubChem CID 176552647) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is ethane;2-ethyl-3-(trifluoromethoxy)pyrazine.

Molecular Properties

Compound Nameethane;2-ethyl-3-(trifluoromethoxy)pyrazine
PubChem CID176552647
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Nameethane;2-ethyl-3-(trifluoromethoxy)pyrazine
SMILESCC.CCc1nccnc1OC(F)(F)F
InChIInChI=1S/C7H7F3N2O.C2H6/c1-2-5-6(12-4-3-11-5)13-7(8,9)10;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyPRSULYYKUQRCRU-UHFFFAOYSA-N
XLogP2.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isobutyl-3-methoxypyrazine
CID 32594
2-Isopropyl-3-methoxypyrazine
CID 33166
2-Methoxy-3-methylpyrazine
CID 17898
2-Methoxy-3-(1-methylpropyl)pyrazine
CID 520098
2-Ethyl-3-methoxypyrazine
CID 33135
2-Methoxy-3-propylpyrazine
CID 528308
2-Ethoxy-3-isopropylpyrazine
CID 175170
2-Ethoxy-3-ethylpyrazine
CID 520722
2-Methoxy-3-isopropyl-5-methylpyrazine
CID 15590168
2-Butyl-3-methoxypyrazine
CID 528313
2-Methoxy-3-pentylpyrazine
CID 528321
3-Methoxy-5-methyl-2-(propan-2-yl)pyrazine
CID 44327976

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-(trifluoromethoxy)pyrazine?
The IUPAC name of ethane;2-ethyl-3-(trifluoromethoxy)pyrazine (CID 176552647) is ethane;2-ethyl-3-(trifluoromethoxy)pyrazine.
What is the SMILES notation for ethane;2-ethyl-3-(trifluoromethoxy)pyrazine?
The canonical SMILES for ethane;2-ethyl-3-(trifluoromethoxy)pyrazine is CC.CCc1nccnc1OC(F)(F)F.
What is the InChIKey of ethane;2-ethyl-3-(trifluoromethoxy)pyrazine?
The InChIKey is PRSULYYKUQRCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O.C2H6/c1-2-5-6(12-4-3-11-5)13-7(8,9)10;1-2/h3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-(trifluoromethoxy)pyrazine?
ethane;2-ethyl-3-(trifluoromethoxy)pyrazine has a molecular weight of 222.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-(trifluoromethoxy)pyrazine is sourced from PubChem (CID 176552647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).