2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate

C8H14F3NO2S — CID 112692293

IUPAC2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
SMILESCSCC(C)N(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-6(4-15-3)12(2)7(13)14-5-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyIWNRKWFKYLHLPI-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.37
Rot. Bonds4

About 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate

2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate (PubChem CID 112692293) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
PubChem CID112692293
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
SMILESCSCC(C)N(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-6(4-15-3)12(2)7(13)14-5-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyIWNRKWFKYLHLPI-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate
CID 112698304
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
CID 62068097
2,2,2-trifluoroethyl N-methyl-N-(3-methylbutyl)carbamate
CID 61066672
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
[1-oxo-1-(2,2,2-trifluoroethoxy)propan-2-yl] 2-methylbutanoate
CID 155645532
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
CID 61066824
ethyl 3,3-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]butanoate
CID 116538257
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 65169047
2,2,2-trifluoroethyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 61067667
2,2,2-trifluoroethyl N-(1-ethylpiperidin-4-yl)-N-methylcarbamate
CID 65173697
2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate (CID 112692293) is 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate is CSCC(C)N(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate?
The InChIKey is IWNRKWFKYLHLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-6(4-15-3)12(2)7(13)14-5-8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate?
2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate has a molecular weight of 245.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate is sourced from PubChem (CID 112692293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).