N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide

C8H15F2NO3S — CID 104857163

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO3S/c1-14-2-3-15-4-7(13)11-5-8(9,10)6-12/h12H,2-6H2,1H3,(H,11,13)
InChIKeyMEOZPFKNSQFUCK-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.11
Rot. Bonds8

About N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 104857163) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID104857163
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO3S/c1-14-2-3-15-4-7(13)11-5-8(9,10)6-12/h12H,2-6H2,1H3,(H,11,13)
InChIKeyMEOZPFKNSQFUCK-UHFFFAOYSA-N
XLogP0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-(3-methoxypropylsulfanyl)ethyl]acetamide
CID 141666960
2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43392461
2-(4-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65418381
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 65821499
2-(3-hydroxypropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66127206
3-ethylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 78896721
2-propylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 78896820
2-tert-butylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86929052
3-(2,2-difluoroethoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103525080
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103706056
2-tert-butylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723056
2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726230

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide (CID 104857163) is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is MEOZPFKNSQFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c1-14-2-3-15-4-7(13)11-5-8(9,10)6-12/h12H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 243.27 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 104857163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).