[1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate

C15H18F3NO2 — CID 155661296

IUPAC[1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate
SMILESCC(C)(C)C1c2ccc(C(F)(F)F)cc2CC1OC(N)=O
InChIInChI=1S/C15H18F3NO2/c1-14(2,3)12-10-5-4-9(15(16,17)18)6-8(10)7-11(12)21-13(19)20/h4-6,11-12H,7H2,1-3H3,(H2,19,20)
InChIKeyJDYHLTVZEWUHQR-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.86
Rot. Bonds1

About [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate

[1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate (PubChem CID 155661296) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate.

Molecular Properties

Compound Name[1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate
PubChem CID155661296
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name[1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate
SMILESCC(C)(C)C1c2ccc(C(F)(F)F)cc2CC1OC(N)=O
InChIInChI=1S/C15H18F3NO2/c1-14(2,3)12-10-5-4-9(15(16,17)18)6-8(10)7-11(12)21-13(19)20/h4-6,11-12H,7H2,1-3H3,(H2,19,20)
InChIKeyJDYHLTVZEWUHQR-UHFFFAOYSA-N
XLogP3.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate?
The IUPAC name of [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate (CID 155661296) is [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate.
What is the SMILES notation for [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate?
The canonical SMILES for [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate is CC(C)(C)C1c2ccc(C(F)(F)F)cc2CC1OC(N)=O.
What is the InChIKey of [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate?
The InChIKey is JDYHLTVZEWUHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-14(2,3)12-10-5-4-9(15(16,17)18)6-8(10)7-11(12)21-13(19)20/h4-6,11-12H,7H2,1-3H3,(H2,19,20).
What are the key properties of [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate?
[1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate has a molecular weight of 301.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate is sourced from PubChem (CID 155661296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).