ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate

C10H10F3NO2S — CID 61062607

IUPACethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2S/c1-2-16-9(15)14-7-3-5-8(6-4-7)17-10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyJQUCCVBVOAQCJX-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.87
Rot. Bonds3

About ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate

ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate (PubChem CID 61062607) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
PubChem CID61062607
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Nameethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2S/c1-2-16-9(15)14-7-3-5-8(6-4-7)17-10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyJQUCCVBVOAQCJX-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate (CID 61062607) is ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate is CCOC(=O)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate?
The InChIKey is JQUCCVBVOAQCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-2-16-9(15)14-7-3-5-8(6-4-7)17-10(11,12)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate?
ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate has a molecular weight of 265.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(trifluoromethylsulfanyl)phenyl]carbamate is sourced from PubChem (CID 61062607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).