2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate

C8H7F3N2O2 — CID 8851547

IUPAC2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate
SMILESO=C(Nc1cccnc1)OCC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-15-7(14)13-6-2-1-3-12-4-6/h1-4H,5H2,(H,13,14)
InChIKeyJENVVQWNHIPHCE-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.19
Rot. Bonds2

About 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate

2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate (PubChem CID 8851547) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate
PubChem CID8851547
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate
SMILESO=C(Nc1cccnc1)OCC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-15-7(14)13-6-2-1-3-12-4-6/h1-4H,5H2,(H,13,14)
InChIKeyJENVVQWNHIPHCE-UHFFFAOYSA-N
XLogP2.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate (CID 8851547) is 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate is O=C(Nc1cccnc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate?
The InChIKey is JENVVQWNHIPHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)5-15-7(14)13-6-2-1-3-12-4-6/h1-4H,5H2,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate?
2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate has a molecular weight of 220.15 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-pyridin-3-ylcarbamate is sourced from PubChem (CID 8851547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).