N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide

C8H15F2NO2S — CID 107482425

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO2S/c1-14-5-2-8(13)11(3-4-12)6-7(9)10/h7,12H,2-6H2,1H3
InChIKeyFKQVXNDQYOYMHI-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.83
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (PubChem CID 107482425) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
PubChem CID107482425
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO2S/c1-14-5-2-8(13)11(3-4-12)6-7(9)10/h7,12H,2-6H2,1H3
InChIKeyFKQVXNDQYOYMHI-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (CID 107482425) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is CSCCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is FKQVXNDQYOYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-14-5-2-8(13)11(3-4-12)6-7(9)10/h7,12H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 227.28 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 107482425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).