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

C15H18F3NO2 — CID 138466260

IUPACtert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C15H18F3NO2/c1-14(2,3)21-13(20)19-12-7-9-4-5-11(15(16,17)18)6-10(9)8-12/h4-6,12H,7-8H2,1-3H3,(H,19,20)
InChIKeyNGHOIKGADCWRPB-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.70
Rot. Bonds1

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

tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 138466260) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID138466260
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Nametert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C15H18F3NO2/c1-14(2,3)21-13(20)19-12-7-9-4-5-11(15(16,17)18)6-10(9)8-12/h4-6,12H,7-8H2,1-3H3,(H,19,20)
InChIKeyNGHOIKGADCWRPB-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester
CID 34054
tert-butyl N-(5-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
CID 69379444
tert-Butyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-2-yl)carbamate
CID 89682200
tert-butyl N-[(2S)-1-phenyl-3-(trifluoromethyl)but-3-en-2-yl]carbamate
CID 101177234
N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
CID 10171489
N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
CID 10171647
(s)-t-Butyl 1-(4-(trifluoromethyl)phenyl)but-3-yn-2-ylcarbamate
CID 57950626
Carbamic acid, N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester
CID 67312959
tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate
CID 72965497
tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
CID 130119913
tert-butyl N-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]carbamate hydrochloride
CID 137963950
tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
CID 155973168

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate (CID 138466260) is tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate is CC(C)(C)OC(=O)NC1Cc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is NGHOIKGADCWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-14(2,3)21-13(20)19-12-7-9-4-5-11(15(16,17)18)6-10(9)8-12/h4-6,12H,7-8H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 301.31 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 138466260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).