(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide

C5H9F2NO3 — CID 131206655

IUPAC(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NOCC(F)F
InChIInChI=1S/C5H9F2NO3/c1-3(9)5(10)8-11-2-4(6)7/h3-4,9H,2H2,1H3,(H,8,10)/t3-/m1/s1
InChIKeyVBULNWADJRZKGM-GSVOUGTGSA-N
MW169.13 g/mol
LogP-0.32
Rot. Bonds4

About (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide

(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide (PubChem CID 131206655) has the molecular formula C5H9F2NO3 and a molecular weight of 169.13 g/mol. Its IUPAC name is (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide
PubChem CID131206655
Molecular FormulaC5H9F2NO3
Molecular Weight169.13 g/mol
Exact Mass169.06
IUPAC Name(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NOCC(F)F
InChIInChI=1S/C5H9F2NO3/c1-3(9)5(10)8-11-2-4(6)7/h3-4,9H,2H2,1H3,(H,8,10)/t3-/m1/s1
InChIKeyVBULNWADJRZKGM-GSVOUGTGSA-N
XLogP-0.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2-hydroxyethoxy)propanamide
CID 130684624
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564
2,2-difluoroethyl 2-methylpropanoate
CID 87205519
N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide
CID 130438480
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
N-ethoxy-2-methylpropanamide
CID 60717901
[[(2S)-2-hydroxypropanoyl]amino] propanoate
CID 176961692
3-chloro-2-methyl-N-(2-methylpropoxy)propanamide
CID 82715896
2-acetamido-N-(2-methylpropoxy)propanamide
CID 115409958
N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide
CID 90318433
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
N-(2-fluoroethyl)-2-hydroxypropanamide
CID 130657561

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide?
The IUPAC name of (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide (CID 131206655) is (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide is C[C@@H](O)C(=O)NOCC(F)F.
What is the InChIKey of (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide?
The InChIKey is VBULNWADJRZKGM-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9F2NO3/c1-3(9)5(10)8-11-2-4(6)7/h3-4,9H,2H2,1H3,(H,8,10)/t3-/m1/s1.
What are the key properties of (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide?
(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide has a molecular weight of 169.13 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide is sourced from PubChem (CID 131206655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).