4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide

C8H14F2N2O2 — CID 115406859

IUPAC4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCC(F)F)CCOCC1
InChIInChI=1S/C8H14F2N2O2/c9-6(10)5-12-7(13)8(11)1-3-14-4-2-8/h6H,1-5,11H2,(H,12,13)
InChIKeyUPPQIDANLHNZDO-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.12
Rot. Bonds3

About 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide

4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide (PubChem CID 115406859) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide
PubChem CID115406859
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCC(F)F)CCOCC1
InChIInChI=1S/C8H14F2N2O2/c9-6(10)5-12-7(13)8(11)1-3-14-4-2-8/h6H,1-5,11H2,(H,12,13)
InChIKeyUPPQIDANLHNZDO-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide (CID 115406859) is 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide is NC1(C(=O)NCC(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide?
The InChIKey is UPPQIDANLHNZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-6(10)5-12-7(13)8(11)1-3-14-4-2-8/h6H,1-5,11H2,(H,12,13).
What are the key properties of 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide?
4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide has a molecular weight of 208.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 115406859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).