2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

C13H14F3NO2 — CID 61067994

IUPAC2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
SMILESCN(C(=O)OCC(F)(F)F)C1CCc2ccccc21
InChIInChI=1S/C13H14F3NO2/c1-17(12(18)19-8-13(14,15)16)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-8H2,1H3
InChIKeyBRNWMWAASFSYSD-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.30
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (PubChem CID 61067994) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
PubChem CID61067994
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
SMILESCN(C(=O)OCC(F)(F)F)C1CCc2ccccc21
InChIInChI=1S/C13H14F3NO2/c1-17(12(18)19-8-13(14,15)16)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-8H2,1H3
InChIKeyBRNWMWAASFSYSD-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (CID 61067994) is 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is CN(C(=O)OCC(F)(F)F)C1CCc2ccccc21.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The InChIKey is BRNWMWAASFSYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-17(12(18)19-8-13(14,15)16)11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-8H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate has a molecular weight of 273.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is sourced from PubChem (CID 61067994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).