N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide

C9H15F2NO3 — CID 104858219

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO3/c10-9(11,6-13)5-12-8(14)4-7-2-1-3-15-7/h7,13H,1-6H2,(H,12,14)
InChIKeyOWNRAKMXQLATGC-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.30
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide (PubChem CID 104858219) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide
PubChem CID104858219
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO3/c10-9(11,6-13)5-12-8(14)4-7-2-1-3-15-7/h7,13H,1-6H2,(H,12,14)
InChIKeyOWNRAKMXQLATGC-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-oxolan-2-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 99795516
6,6,6-trifluoro-N-(3-hydroxyoctyl)hexanamide
CID 168158662
2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide
CID 4985294
6-[3-(2,2,2-Trifluoroethoxy)propanoylamino]hexanoic acid
CID 43352875
2,2-difluoro-2-[(2R)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]-N-hexylacetamide
CID 92200544
2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]-N-hexylacetamide
CID 92200545
2-[(2S)-oxolan-2-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 99795518
2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 102562915
N-(2,2-difluoro-3-hydroxypropyl)-5-methyloxolane-3-carboxamide
CID 102677286
6-[3-(2,2-Difluoroethoxy)propanoylamino]hexanoic acid
CID 103205763
3-(2,2-difluoroethoxy)-N-(6-hydroxyhexyl)propanamide
CID 103526850
2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726418

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide (CID 104858219) is N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is OWNRAKMXQLATGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c10-9(11,6-13)5-12-8(14)4-7-2-1-3-15-7/h7,13H,1-6H2,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 223.22 g/mol, XLogP of 0.30, 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)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 104858219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).