N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide

C8H15F2NO3 — CID 123793837

IUPACN-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)CC(CO)C(F)F
InChIInChI=1S/C8H15F2NO3/c1-6(14)11(2-3-12)4-7(5-13)8(9)10/h7-8,12-13H,2-5H2,1H3
InChIKeyJPQSBZMPUAEHPX-UHFFFAOYSA-N
MW211.21 g/mol
LogP-0.30
Rot. Bonds6

About N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide

N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 123793837) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide
PubChem CID123793837
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC NameN-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)CC(CO)C(F)F
InChIInChI=1S/C8H15F2NO3/c1-6(14)11(2-3-12)4-7(5-13)8(9)10/h7-8,12-13H,2-5H2,1H3
InChIKeyJPQSBZMPUAEHPX-UHFFFAOYSA-N
XLogP-0.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61448362
2,2,3,3,3-Pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
CID 91730500
N-Ethyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 91733399
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
CID 25029674
2-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 54031663
N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 59440884
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443
N-ethyl-2,2,2-trifluoro-N-[(2R)-2-hydroxypropyl]acetamide
CID 130657476
N-ethyl-2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
CID 130708897
2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]-N-methylacetamide
CID 130734465
N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide
CID 130944845

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide (CID 123793837) is N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide is CC(=O)N(CCO)CC(CO)C(F)F.
What is the InChIKey of N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is JPQSBZMPUAEHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-6(14)11(2-3-12)4-7(5-13)8(9)10/h7-8,12-13H,2-5H2,1H3.
What are the key properties of N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide?
N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 211.21 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-2-(hydroxymethyl)propyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 123793837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).