2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate

C9H9ClF3NO2S — CID 65173867

IUPAC2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClF3NO2S/c1-5(6-2-3-7(10)17-6)14-8(15)16-4-9(11,12)13/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyLISVKTRDTMUWOQ-UHFFFAOYSA-N
MW287.69 g/mol
LogP3.75
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate (PubChem CID 65173867) has the molecular formula C9H9ClF3NO2S and a molecular weight of 287.69 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
PubChem CID65173867
Molecular FormulaC9H9ClF3NO2S
Molecular Weight287.69 g/mol
Exact Mass287.00
IUPAC Name2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClF3NO2S/c1-5(6-2-3-7(10)17-6)14-8(15)16-4-9(11,12)13/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyLISVKTRDTMUWOQ-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.69
LogP ≤ 53.75
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-[1-(5-chlorothiophen-2-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate (CID 65173867) is 2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate is CC(NC(=O)OCC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate?
The InChIKey is LISVKTRDTMUWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2S/c1-5(6-2-3-7(10)17-6)14-8(15)16-4-9(11,12)13/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate has a molecular weight of 287.69 g/mol, XLogP of 3.75, 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-[1-(5-chlorothiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 65173867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).