2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate

C7H12F3NO2S — CID 112698304

IUPAC2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate
SMILESCSCCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-11(3-4-14-2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3
InChIKeyCIZZFUXWGPXXLZ-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.98
Rot. Bonds4

About 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate

2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate (PubChem CID 112698304) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate
PubChem CID112698304
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate
SMILESCSCCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-11(3-4-14-2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3
InChIKeyCIZZFUXWGPXXLZ-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 65169047
2,2,2-trifluoroethyl N-methyl-N-(3-methylbutyl)carbamate
CID 61066672
2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate
CID 81073715
2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 112692293
3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
CID 112658917
2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 65173475
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
CID 65173330
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
CID 62068097
N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
CID 112697996
2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
CID 114329068
2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 63373626

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate (CID 112698304) is 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate is CSCCN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate?
The InChIKey is CIZZFUXWGPXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-11(3-4-14-2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate?
2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate has a molecular weight of 231.24 g/mol, XLogP of 1.98, 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-(2-methylsulfanylethyl)carbamate is sourced from PubChem (CID 112698304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).