N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide

C8H15F2NO2S — CID 104857162

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO2S/c1-6(2)14-3-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyDQHQYQASRFIKLL-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.87
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 104857162) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
PubChem CID104857162
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO2S/c1-6(2)14-3-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyDQHQYQASRFIKLL-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide
CID 71914582
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
4,4,4-trifluoro-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068881
4,4,4-trifluoro-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068882
4,4,4-trifluoro-N-[(2S,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068883
4,4,4-trifluoro-N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068884

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide (CID 104857162) is N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is DQHQYQASRFIKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-6(2)14-3-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 227.28 g/mol, XLogP of 0.87, 6 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-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 104857162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).