3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide

C9H16F2N2O3 — CID 107479366

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)N(CCO)CC(F)F)CCOC1
InChIInChI=1S/C9H16F2N2O3/c10-7(11)5-13(2-3-14)8(15)9(12)1-4-16-6-9/h7,14H,1-6,12H2
InChIKeyUQYHSIJXGUHBJH-UHFFFAOYSA-N
MW238.23 g/mol
LogP-0.81
Rot. Bonds5

About 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide

3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide (PubChem CID 107479366) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide
PubChem CID107479366
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)N(CCO)CC(F)F)CCOC1
InChIInChI=1S/C9H16F2N2O3/c10-7(11)5-13(2-3-14)8(15)9(12)1-4-16-6-9/h7,14H,1-6,12H2
InChIKeyUQYHSIJXGUHBJH-UHFFFAOYSA-N
XLogP-0.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide (CID 107479366) is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide is NC1(C(=O)N(CCO)CC(F)F)CCOC1.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide?
The InChIKey is UQYHSIJXGUHBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c10-7(11)5-13(2-3-14)8(15)9(12)1-4-16-6-9/h7,14H,1-6,12H2.
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide has a molecular weight of 238.23 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxolane-3-carboxamide is sourced from PubChem (CID 107479366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).