3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

C10H19F2NO3 — CID 103209182

IUPAC3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(C)(CCO)NC(=O)CCOCC(F)F
InChIInChI=1S/C10H19F2NO3/c1-10(2,4-5-14)13-9(15)3-6-16-7-8(11)12/h8,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyUJAOLJBBQXDHIE-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.94
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 103209182) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID103209182
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Name3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(C)(CCO)NC(=O)CCOCC(F)F
InChIInChI=1S/C10H19F2NO3/c1-10(2,4-5-14)13-9(15)3-6-16-7-8(11)12/h8,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyUJAOLJBBQXDHIE-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (CID 103209182) is 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is CC(C)(CCO)NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is UJAOLJBBQXDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-10(2,4-5-14)13-9(15)3-6-16-7-8(11)12/h8,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 239.26 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 103209182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).