3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide

C9H17F2NO4 — CID 103209153

IUPAC3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(CO)(CO)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO4/c1-9(5-13,6-14)12-8(15)2-3-16-4-7(10)11/h7,13-14H,2-6H2,1H3,(H,12,15)
InChIKeyKBPVPZMPAOJDMW-UHFFFAOYSA-N
MW241.23 g/mol
LogP-0.48
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide

3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 103209153) has the molecular formula C9H17F2NO4 and a molecular weight of 241.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide
PubChem CID103209153
Molecular FormulaC9H17F2NO4
Molecular Weight241.23 g/mol
Exact Mass241.11
IUPAC Name3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(CO)(CO)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO4/c1-9(5-13,6-14)12-8(15)2-3-16-4-7(10)11/h7,13-14H,2-6H2,1H3,(H,12,15)
InChIKeyKBPVPZMPAOJDMW-UHFFFAOYSA-N
XLogP-0.48
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide 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 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide (CID 103209153) is 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide is CC(CO)(CO)NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is KBPVPZMPAOJDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO4/c1-9(5-13,6-14)12-8(15)2-3-16-4-7(10)11/h7,13-14H,2-6H2,1H3,(H,12,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 241.23 g/mol, XLogP of -0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 103209153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).