2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate

C11H16F3N3O2 — CID 52908165

IUPAC2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OCC(F)(F)F)n(C(C)(C)C)n1
InChIInChI=1S/C11H16F3N3O2/c1-7-5-8(17(16-7)10(2,3)4)15-9(18)19-6-11(12,13)14/h5H,6H2,1-4H3,(H,15,18)
InChIKeyLIPXWZWRSDMYRG-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.06
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate

2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate (PubChem CID 52908165) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
PubChem CID52908165
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OCC(F)(F)F)n(C(C)(C)C)n1
InChIInChI=1S/C11H16F3N3O2/c1-7-5-8(17(16-7)10(2,3)4)15-9(18)19-6-11(12,13)14/h5H,6H2,1-4H3,(H,15,18)
InChIKeyLIPXWZWRSDMYRG-UHFFFAOYSA-N
XLogP3.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.06
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-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate (CID 52908165) is 2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate is Cc1cc(NC(=O)OCC(F)(F)F)n(C(C)(C)C)n1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The InChIKey is LIPXWZWRSDMYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7-5-8(17(16-7)10(2,3)4)15-9(18)19-6-11(12,13)14/h5H,6H2,1-4H3,(H,15,18).
What are the key properties of 2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate has a molecular weight of 279.26 g/mol, XLogP of 3.06, 2 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-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 52908165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).