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

C6H11F2NO2S — CID 103769753

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(O)C(F)F
InChIInChI=1S/C6H11F2NO2S/c1-12-3-5(11)9-2-4(10)6(7)8/h4,6,10H,2-3H2,1H3,(H,9,11)
InChIKeyDTLZCTBFCZOOIJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.09
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide (PubChem CID 103769753) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide
PubChem CID103769753
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(O)C(F)F
InChIInChI=1S/C6H11F2NO2S/c1-12-3-5(11)9-2-4(10)6(7)8/h4,6,10H,2-3H2,1H3,(H,9,11)
InChIKeyDTLZCTBFCZOOIJ-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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide (CID 103769753) is N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide is CSCC(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide?
The InChIKey is DTLZCTBFCZOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-12-3-5(11)9-2-4(10)6(7)8/h4,6,10H,2-3H2,1H3,(H,9,11).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 103769753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).