4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide

C10H18F2N2O3 — CID 114127402

IUPAC4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide
SMILESNC1(C(=O)NCCOCC(F)F)CCOCC1
InChIInChI=1S/C10H18F2N2O3/c11-8(12)7-17-6-3-14-9(15)10(13)1-4-16-5-2-10/h8H,1-7,13H2,(H,14,15)
InChIKeyHSKJOJRZOKJKQU-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.11
Rot. Bonds6

About 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide

4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide (PubChem CID 114127402) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide
PubChem CID114127402
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide
SMILESNC1(C(=O)NCCOCC(F)F)CCOCC1
InChIInChI=1S/C10H18F2N2O3/c11-8(12)7-17-6-3-14-9(15)10(13)1-4-16-5-2-10/h8H,1-7,13H2,(H,14,15)
InChIKeyHSKJOJRZOKJKQU-UHFFFAOYSA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide (CID 114127402) is 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide is NC1(C(=O)NCCOCC(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide?
The InChIKey is HSKJOJRZOKJKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c11-8(12)7-17-6-3-14-9(15)10(13)1-4-16-5-2-10/h8H,1-7,13H2,(H,14,15).
What are the key properties of 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide?
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide has a molecular weight of 252.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 114127402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).