N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide

C9H16F2N2O2 — CID 107493264

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
SMILESNCCN(CC(F)F)C(=O)C1CCOC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)5-13(3-2-12)9(14)7-1-4-15-6-7/h7-8H,1-6,12H2
InChIKeyWVPLWOYJRQLJGS-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.08
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide (PubChem CID 107493264) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
PubChem CID107493264
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
SMILESNCCN(CC(F)F)C(=O)C1CCOC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)5-13(3-2-12)9(14)7-1-4-15-6-7/h7-8H,1-6,12H2
InChIKeyWVPLWOYJRQLJGS-UHFFFAOYSA-N
XLogP0.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide (CID 107493264) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide is NCCN(CC(F)F)C(=O)C1CCOC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
The InChIKey is WVPLWOYJRQLJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)5-13(3-2-12)9(14)7-1-4-15-6-7/h7-8H,1-6,12H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 107493264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).