N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide

C7H13F2NO3 — CID 106178303

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
SMILESO=C(CCCO)NCC(F)(F)CO
InChIInChI=1S/C7H13F2NO3/c8-7(9,5-12)4-10-6(13)2-1-3-11/h11-12H,1-5H2,(H,10,13)
InChIKeyYBPQXLCMYKXKFE-UHFFFAOYSA-N
MW197.18 g/mol
LogP-0.50
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide

N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide (PubChem CID 106178303) has the molecular formula C7H13F2NO3 and a molecular weight of 197.18 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
PubChem CID106178303
Molecular FormulaC7H13F2NO3
Molecular Weight197.18 g/mol
Exact Mass197.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
SMILESO=C(CCCO)NCC(F)(F)CO
InChIInChI=1S/C7H13F2NO3/c8-7(9,5-12)4-10-6(13)2-1-3-11/h11-12H,1-5H2,(H,10,13)
InChIKeyYBPQXLCMYKXKFE-UHFFFAOYSA-N
XLogP-0.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 106173130
N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
CID 106173501
3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104858128
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 104857752
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 104857888
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methylphenoxy)butanamide
CID 104858238
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
CID 104858205

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide (CID 106178303) is N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide is O=C(CCCO)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide?
The InChIKey is YBPQXLCMYKXKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3/c8-7(9,5-12)4-10-6(13)2-1-3-11/h11-12H,1-5H2,(H,10,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide has a molecular weight of 197.18 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide is sourced from PubChem (CID 106178303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).