tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate

C11H14F2N2O3 — CID 119004624

IUPACtert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(17)14-7-4-5-8(16)15(6-7)9(12)13/h4-6,9H,1-3H3,(H,14,17)
InChIKeyWBYJWJPPKFKAKU-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate (PubChem CID 119004624) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate
PubChem CID119004624
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nametert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(17)14-7-4-5-8(16)15(6-7)9(12)13/h4-6,9H,1-3H3,(H,14,17)
InChIKeyWBYJWJPPKFKAKU-UHFFFAOYSA-N
XLogP2.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate (CID 119004624) is tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(=O)n(C(F)F)c1.
What is the InChIKey of tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate?
The InChIKey is WBYJWJPPKFKAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(17)14-7-4-5-8(16)15(6-7)9(12)13/h4-6,9H,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate has a molecular weight of 260.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(difluoromethyl)-6-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 119004624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).