N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide

C9H16F2N2O3 — CID 106176579

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H16F2N2O3/c1-12-7-3-16-2-6(7)8(15)13-4-9(10,11)5-14/h6-7,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyQZRNITAKGUJVIE-UHFFFAOYSA-N
MW238.23 g/mol
LogP-1.04
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 106176579) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID106176579
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H16F2N2O3/c1-12-7-3-16-2-6(7)8(15)13-4-9(10,11)5-14/h6-7,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyQZRNITAKGUJVIE-UHFFFAOYSA-N
XLogP-1.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide (CID 106176579) is N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is QZRNITAKGUJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c1-12-7-3-16-2-6(7)8(15)13-4-9(10,11)5-14/h6-7,12,14H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 238.23 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 106176579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).