N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide

C7H9F2NO2 — CID 106168461

IUPACN-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide
SMILESCC#CC(=O)NCC(F)(F)CO
InChIInChI=1S/C7H9F2NO2/c1-2-3-6(12)10-4-7(8,9)5-11/h11H,4-5H2,1H3,(H,10,12)
InChIKeyFODHVDZQTLIXQG-UHFFFAOYSA-N
MW177.15 g/mol
LogP-0.25
Rot. Bonds3

About N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide

N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide (PubChem CID 106168461) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide
PubChem CID106168461
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide
SMILESCC#CC(=O)NCC(F)(F)CO
InChIInChI=1S/C7H9F2NO2/c1-2-3-6(12)10-4-7(8,9)5-11/h11H,4-5H2,1H3,(H,10,12)
InChIKeyFODHVDZQTLIXQG-UHFFFAOYSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
CID 106173501
N-(2-cyano-2-methylpropyl)but-2-ynamide
CID 130621104
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]but-2-ynamide
CID 107989765
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide
CID 130709523
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
CID 106178303
2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 106169028
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
N-pent-3-ynylbut-2-ynamide
CID 107992893
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
CID 106176749

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide (CID 106168461) is N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide is CC#CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide?
The InChIKey is FODHVDZQTLIXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2/c1-2-3-6(12)10-4-7(8,9)5-11/h11H,4-5H2,1H3,(H,10,12).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide?
N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide has a molecular weight of 177.15 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide is sourced from PubChem (CID 106168461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).