N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine

C11H12F3NO — CID 82710873

IUPACN-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)CONC1Cc2ccccc2C1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-16-15-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,15H,5-7H2
InChIKeyJVZDDLLLTQAEGY-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.24
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine

N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine (PubChem CID 82710873) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine
PubChem CID82710873
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)CONC1Cc2ccccc2C1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-16-15-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,15H,5-7H2
InChIKeyJVZDDLLLTQAEGY-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine (CID 82710873) is N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine is FC(F)(F)CONC1Cc2ccccc2C1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is JVZDDLLLTQAEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)7-16-15-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,15H,5-7H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine?
N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 231.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 82710873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).