2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate

C10H10F3NO2S — CID 65173338

IUPAC2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate
SMILESCSc1ccccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c1-17-8-5-3-2-4-7(8)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyPEZDHXQVDLEUCL-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.52
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate

2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate (PubChem CID 65173338) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate
PubChem CID65173338
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate
SMILESCSc1ccccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c1-17-8-5-3-2-4-7(8)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyPEZDHXQVDLEUCL-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate
CID 65173873
2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61169225
2,2,2-trifluoroethyl N-(2,3,4-trifluorophenyl)carbamate
CID 39871456
2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
CID 39871495
2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate
CID 65173317
5-fluoro-2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61170206
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
methyl 2-phenyl-2-(2,2,2-trifluoroethoxycarbonylamino)acetate
CID 65173497
2,2,2-trifluoroethyl N-(2-pyrazol-1-yl-3-pyridinyl)carbamate
CID 47002174
(2S)-N-(2-methylsulfanylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 96540208
2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
CID 65173773

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate (CID 65173338) is 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate is CSc1ccccc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate?
The InChIKey is PEZDHXQVDLEUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-17-8-5-3-2-4-7(8)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate?
2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate has a molecular weight of 265.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate is sourced from PubChem (CID 65173338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).