3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide

C9H17F2NO3 — CID 103209076

IUPAC3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO3/c1-9(2,14)6-12-8(13)3-4-15-5-7(10)11/h7,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyKOJRNNCDCXPSNE-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.55
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide

3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 103209076) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID103209076
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO3/c1-9(2,14)6-12-8(13)3-4-15-5-7(10)11/h7,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyKOJRNNCDCXPSNE-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.55
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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Related Compounds

N-(2-hydroxy-2-methylbutyl)-3-propan-2-yloxypropanamide
CID 72116034
propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 169193293
N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]propanamide
CID 169933634
N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417434
N-(1-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417841
N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418185
N-(1-hydroxypropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418548
N-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 64285050
N-(3-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 64459331
N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65031880
N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65109730
N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65112688

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide (CID 103209076) is 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide is CC(C)(O)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is KOJRNNCDCXPSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-9(2,14)6-12-8(13)3-4-15-5-7(10)11/h7,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 225.23 g/mol, XLogP of 0.55, 7 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-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 103209076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).