2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C10H18F3NO2S — CID 78846859

IUPAC2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCC(C)(C)SCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-9(2,3)17-6-8(15)14-4-5-16-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15)
InChIKeyVMRCMIBWUDWYAK-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.21
Rot. Bonds6

About 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 78846859) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID78846859
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCC(C)(C)SCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-9(2,3)17-6-8(15)14-4-5-16-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15)
InChIKeyVMRCMIBWUDWYAK-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[2-[2-[2-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] ethanethioate
CID 89653297
2-(Dimethylamino)ethyl 3-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propanoate
CID 141478781
2,2,2-trifluoro-N-[2-(3-methoxypropylsulfanyl)ethyl]acetamide
CID 141666960
2-[(2,2-Difluoro-2-methylsulfanylacetyl)amino]ethyl 2-methylpropanoate
CID 146374467
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 78846856
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78873883
3-ethylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78886853
2-propylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 78894174
3-ethylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 78896721
2-propylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 78896820
2-tert-butylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86929052
2-tert-butylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723056

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 78846859) is 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is CC(C)(C)SCC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is VMRCMIBWUDWYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-9(2,3)17-6-8(15)14-4-5-16-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-tert-butylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 273.32 g/mol, XLogP of 2.21, 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-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 78846859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).