3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

C10H19F2NO3S — CID 103522093

IUPAC3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)(O)CNC(=O)CCOCC(F)F
InChIInChI=1S/C10H19F2NO3S/c1-10(15,7-17-2)6-13-9(14)3-4-16-5-8(11)12/h8,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyPNVQPSOGDMIWGD-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.89
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide (PubChem CID 103522093) has the molecular formula C10H19F2NO3S and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
PubChem CID103522093
Molecular FormulaC10H19F2NO3S
Molecular Weight271.33 g/mol
Exact Mass271.11
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)(O)CNC(=O)CCOCC(F)F
InChIInChI=1S/C10H19F2NO3S/c1-10(15,7-17-2)6-13-9(14)3-4-16-5-8(11)12/h8,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyPNVQPSOGDMIWGD-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.89
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

N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65109730
3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 103209076
3-(2,2-difluoroethoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103525080
3-(2,2-difluoroethoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103525150
4,4,4-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide
CID 103707611
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103767819
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103799045
2-Methyl-1-methylsulfanyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol
CID 106247245
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide
CID 106244959
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide
CID 107168055
4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide
CID 114227646

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide (CID 103522093) is 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide is CSCC(C)(O)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The InChIKey is PNVQPSOGDMIWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3S/c1-10(15,7-17-2)6-13-9(14)3-4-16-5-8(11)12/h8,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide has a molecular weight of 271.33 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 103522093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).