ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate

C8H9F2N3O3 — CID 133063342

IUPACethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate
SMILESCCOC(=O)Nc1cnc(OC(F)F)cn1
InChIInChI=1S/C8H9F2N3O3/c1-2-15-8(14)13-5-3-12-6(4-11-5)16-7(9)10/h3-4,7H,2H2,1H3,(H,11,13,14)
InChIKeyNLTMZXVUKMVNBX-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.65
Rot. Bonds4

About ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate

ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate (PubChem CID 133063342) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate
PubChem CID133063342
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC Nameethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate
SMILESCCOC(=O)Nc1cnc(OC(F)F)cn1
InChIInChI=1S/C8H9F2N3O3/c1-2-15-8(14)13-5-3-12-6(4-11-5)16-7(9)10/h3-4,7H,2H2,1H3,(H,11,13,14)
InChIKeyNLTMZXVUKMVNBX-UHFFFAOYSA-N
XLogP1.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate (CID 133063342) is ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate is CCOC(=O)Nc1cnc(OC(F)F)cn1.
What is the InChIKey of ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate?
The InChIKey is NLTMZXVUKMVNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c1-2-15-8(14)13-5-3-12-6(4-11-5)16-7(9)10/h3-4,7H,2H2,1H3,(H,11,13,14).
What are the key properties of ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate?
ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate has a molecular weight of 233.17 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(difluoromethoxy)pyrazin-2-yl]carbamate is sourced from PubChem (CID 133063342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).