2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

C8H12F2N2O2S — CID 107482755

IUPAC2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESN#CCSCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H12F2N2O2S/c9-7(10)5-12(2-3-13)8(14)6-15-4-1-11/h7,13H,2-6H2
InChIKeyHUTBIMPYCSDDBH-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.33
Rot. Bonds7

About 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482755) has the molecular formula C8H12F2N2O2S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482755
Molecular FormulaC8H12F2N2O2S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESN#CCSCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H12F2N2O2S/c9-7(10)5-12(2-3-13)8(14)6-15-4-1-11/h7,13H,2-6H2
InChIKeyHUTBIMPYCSDDBH-UHFFFAOYSA-N
XLogP0.33
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 107494882
N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 107483262
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
CID 107479313
N-(2,2-difluoroethyl)-2-(ethylamino)-N-(2-hydroxyethyl)acetamide
CID 107479472
ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483466
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482645
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479516
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 107478956

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107482755) is 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is N#CCSCC(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is HUTBIMPYCSDDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2S/c9-7(10)5-12(2-3-13)8(14)6-15-4-1-11/h7,13H,2-6H2.
What are the key properties of 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 238.26 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).