2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide

C8H10F6N2O3S — CID 3239832

IUPAC2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide
SMILESO=C(NCCS(=O)CCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O3S/c9-7(10,11)5(17)15-1-3-20(19)4-2-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18)
InChIKeyXNVNKCODWHWCFR-UHFFFAOYSA-N
MW328.23 g/mol
LogP0.09
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide (PubChem CID 3239832) has the molecular formula C8H10F6N2O3S and a molecular weight of 328.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide
PubChem CID3239832
Molecular FormulaC8H10F6N2O3S
Molecular Weight328.23 g/mol
Exact Mass328.03
IUPAC Name2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide
SMILESO=C(NCCS(=O)CCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O3S/c9-7(10,11)5(17)15-1-3-20(19)4-2-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18)
InChIKeyXNVNKCODWHWCFR-UHFFFAOYSA-N
XLogP0.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-N-(2-{[2-(2,2,2-trifluoroacetamido)ethyl]sulfanyl}ethyl)acetamide
CID 2055987
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
S-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ethanethioate
CID 89216804
N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
CID 138560238
2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 138562483
3-(3,3-difluorobutylsulfinyl)-N-ethylpropanamide
CID 145160116
N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide
CID 163691113
N-[2-(2-acetamidoethylsulfanyl)ethyl]-2,2,2-trifluoroacetamide
CID 169687582
Oxo-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanium
CID 174701794
2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide
CID 14377681
2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43249652
2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81173715

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide (CID 3239832) is 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide is O=C(NCCS(=O)CCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide?
The InChIKey is XNVNKCODWHWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O3S/c9-7(10,11)5(17)15-1-3-20(19)4-2-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide has a molecular weight of 328.23 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfinyl]ethyl]acetamide is sourced from PubChem (CID 3239832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).