N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide

C6H11F2NO2S — CID 104858041

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H11F2NO2S/c1-12-2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11)
InChIKeyCWPTVCBEMFDJKU-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.09
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide (PubChem CID 104858041) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide
PubChem CID104858041
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H11F2NO2S/c1-12-2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11)
InChIKeyCWPTVCBEMFDJKU-UHFFFAOYSA-N
XLogP0.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857135
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
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
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103706056
2-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723390

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide (CID 104858041) is N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide is CSCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide?
The InChIKey is CWPTVCBEMFDJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-12-2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide has a molecular weight of 199.22 g/mol, XLogP of 0.09, 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-methylsulfanylacetamide is sourced from PubChem (CID 104858041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).