2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

C10H19F2NO2S — CID 107482815

IUPAC2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESCC(C)(C)SCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H19F2NO2S/c1-10(2,3)16-7-9(15)13(4-5-14)6-8(11)12/h8,14H,4-7H2,1-3H3
InChIKeyBVEBKVXGFPOTIV-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.60
Rot. Bonds6

About 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482815) has the molecular formula C10H19F2NO2S and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482815
Molecular FormulaC10H19F2NO2S
Molecular Weight255.33 g/mol
Exact Mass255.11
IUPAC Name2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESCC(C)(C)SCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H19F2NO2S/c1-10(2,3)16-7-9(15)13(4-5-14)6-8(11)12/h8,14H,4-7H2,1-3H3
InChIKeyBVEBKVXGFPOTIV-UHFFFAOYSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107482815) is 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is CC(C)(C)SCC(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is BVEBKVXGFPOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2S/c1-10(2,3)16-7-9(15)13(4-5-14)6-8(11)12/h8,14H,4-7H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 255.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).