2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3NOS — CID 78858785

IUPAC2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CSC(C)(C)C
InChIInChI=1S/C10H18F3NOS/c1-5-14(7-10(11,12)13)8(15)6-16-9(2,3)4/h5-7H2,1-4H3
InChIKeyJSDPPCHQIKRPTA-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.93
Rot. Bonds4

About 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78858785) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78858785
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CSC(C)(C)C
InChIInChI=1S/C10H18F3NOS/c1-5-14(7-10(11,12)13)8(15)6-16-9(2,3)4/h5-7H2,1-4H3
InChIKeyJSDPPCHQIKRPTA-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (CID 78858785) is 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JSDPPCHQIKRPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-5-14(7-10(11,12)13)8(15)6-16-9(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 257.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78858785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).