N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C6H8F2N2O3 — CID 130678353

IUPACN-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC(F)F)CO1
InChIInChI=1S/C6H8F2N2O3/c7-4(8)1-9-5(11)3-2-13-6(12)10-3/h3-4H,1-2H2,(H,9,11)(H,10,12)
InChIKeyUGBZWROMWXEPSC-UHFFFAOYSA-N
MW194.14 g/mol
LogP-0.52
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 130678353) has the molecular formula C6H8F2N2O3 and a molecular weight of 194.14 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID130678353
Molecular FormulaC6H8F2N2O3
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC NameN-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC(F)F)CO1
InChIInChI=1S/C6H8F2N2O3/c7-4(8)1-9-5(11)3-2-13-6(12)10-3/h3-4H,1-2H2,(H,9,11)(H,10,12)
InChIKeyUGBZWROMWXEPSC-UHFFFAOYSA-N
XLogP-0.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 130678353) is N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is O=C1NC(C(=O)NCC(F)F)CO1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is UGBZWROMWXEPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O3/c7-4(8)1-9-5(11)3-2-13-6(12)10-3/h3-4H,1-2H2,(H,9,11)(H,10,12).
What are the key properties of N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 194.14 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 130678353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).