2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate

C9H10F3N3O2 — CID 65173800

IUPAC2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
SMILESCc1cnc(CNC(=O)OCC(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O2/c1-6-2-14-7(3-13-6)4-15-8(16)17-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeySFNCPALNFVDDTI-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.57
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate (PubChem CID 65173800) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
PubChem CID65173800
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
SMILESCc1cnc(CNC(=O)OCC(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O2/c1-6-2-14-7(3-13-6)4-15-8(16)17-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeySFNCPALNFVDDTI-UHFFFAOYSA-N
XLogP1.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate (CID 65173800) is 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate is Cc1cnc(CNC(=O)OCC(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate?
The InChIKey is SFNCPALNFVDDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-6-2-14-7(3-13-6)4-15-8(16)17-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate has a molecular weight of 249.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate is sourced from PubChem (CID 65173800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).