N-(2,2-difluoroethyl)oxane-3-carboxamide

C8H13F2NO2 — CID 130683242

IUPACN-(2,2-difluoroethyl)oxane-3-carboxamide
SMILESO=C(NCC(F)F)C1CCCOC1
InChIInChI=1S/C8H13F2NO2/c9-7(10)4-11-8(12)6-2-1-3-13-5-6/h6-7H,1-5H2,(H,11,12)
InChIKeyXJDJBCOABGHXEG-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.79
Rot. Bonds3

About N-(2,2-difluoroethyl)oxane-3-carboxamide

N-(2,2-difluoroethyl)oxane-3-carboxamide (PubChem CID 130683242) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)oxane-3-carboxamide
PubChem CID130683242
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC NameN-(2,2-difluoroethyl)oxane-3-carboxamide
SMILESO=C(NCC(F)F)C1CCCOC1
InChIInChI=1S/C8H13F2NO2/c9-7(10)4-11-8(12)6-2-1-3-13-5-6/h6-7H,1-5H2,(H,11,12)
InChIKeyXJDJBCOABGHXEG-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)oxane-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)oxane-3-carboxamide (CID 130683242) is N-(2,2-difluoroethyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)oxane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)oxane-3-carboxamide is O=C(NCC(F)F)C1CCCOC1.
What is the InChIKey of N-(2,2-difluoroethyl)oxane-3-carboxamide?
The InChIKey is XJDJBCOABGHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-7(10)4-11-8(12)6-2-1-3-13-5-6/h6-7H,1-5H2,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)oxane-3-carboxamide?
N-(2,2-difluoroethyl)oxane-3-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)oxane-3-carboxamide is sourced from PubChem (CID 130683242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).