3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C10H17F2NO4 — CID 103525863

IUPAC3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1(O)CCOC1
InChIInChI=1S/C10H17F2NO4/c11-8(12)5-16-3-1-9(14)13-6-10(15)2-4-17-7-10/h8,15H,1-7H2,(H,13,14)
InChIKeyOGATYZZLJZHHBB-UHFFFAOYSA-N
MW253.24 g/mol
LogP-0.07
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103525863) has the molecular formula C10H17F2NO4 and a molecular weight of 253.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103525863
Molecular FormulaC10H17F2NO4
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1(O)CCOC1
InChIInChI=1S/C10H17F2NO4/c11-8(12)5-16-3-1-9(14)13-6-10(15)2-4-17-7-10/h8,15H,1-7H2,(H,13,14)
InChIKeyOGATYZZLJZHHBB-UHFFFAOYSA-N
XLogP-0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 5-0.07
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 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103525863) is 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is O=C(CCOCC(F)F)NCC1(O)CCOC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is OGATYZZLJZHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO4/c11-8(12)5-16-3-1-9(14)13-6-10(15)2-4-17-7-10/h8,15H,1-7H2,(H,13,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 253.24 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 103525863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).