N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide

C7H11F2NO3 — CID 106173501

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C7H11F2NO3/c1-5(12)2-6(13)10-3-7(8,9)4-11/h11H,2-4H2,1H3,(H,10,13)
InChIKeyOIXRAVCXAHSJOF-UHFFFAOYSA-N
MW195.16 g/mol
LogP-0.29
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide (PubChem CID 106173501) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
PubChem CID106173501
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C7H11F2NO3/c1-5(12)2-6(13)10-3-7(8,9)4-11/h11H,2-4H2,1H3,(H,10,13)
InChIKeyOIXRAVCXAHSJOF-UHFFFAOYSA-N
XLogP-0.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
CID 106178303
2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106176989
N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide
CID 106168461
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
CID 106176749
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 106173130
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
CID 104858311
3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104858128
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide
CID 113462787
1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide
CID 104857306
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
CID 104857620

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide (CID 106173501) is N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide is CC(=O)CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide?
The InChIKey is OIXRAVCXAHSJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-5(12)2-6(13)10-3-7(8,9)4-11/h11H,2-4H2,1H3,(H,10,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide has a molecular weight of 195.16 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide is sourced from PubChem (CID 106173501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).