2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate

C10H16F3NO2S — CID 103713746

IUPAC2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate
SMILESCCSC1CCC(NC(=O)OCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2S/c1-2-17-8-4-3-7(5-8)14-9(15)16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyATRBGCZXJVLYPC-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.95
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate

2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate (PubChem CID 103713746) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate
PubChem CID103713746
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate
SMILESCCSC1CCC(NC(=O)OCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2S/c1-2-17-8-4-3-7(5-8)14-9(15)16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyATRBGCZXJVLYPC-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate (CID 103713746) is 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate is CCSC1CCC(NC(=O)OCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate?
The InChIKey is ATRBGCZXJVLYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c1-2-17-8-4-3-7(5-8)14-9(15)16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate?
2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate has a molecular weight of 271.30 g/mol, XLogP of 2.95, 4 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-(3-ethylsulfanylcyclopentyl)carbamate is sourced from PubChem (CID 103713746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).