N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide

C15H18F3NO — CID 10171647

IUPACN-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1cc2c(cc1CC)CC(NC(=O)C(F)(F)F)C2
InChIInChI=1S/C15H18F3NO/c1-3-9-5-11-7-13(19-14(20)15(16,17)18)8-12(11)6-10(9)4-2/h5-6,13H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyOHWRMLUHAZLNLT-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.96
Rot. Bonds3

About N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide

N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 10171647) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
PubChem CID10171647
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC NameN-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1cc2c(cc1CC)CC(NC(=O)C(F)(F)F)C2
InChIInChI=1S/C15H18F3NO/c1-3-9-5-11-7-13(19-14(20)15(16,17)18)8-12(11)6-10(9)4-2/h5-6,13H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyOHWRMLUHAZLNLT-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoro-N-(2-indan-1-yl-ethyl)-acetamide
CID 11097218
Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 38514
N-[(N''-Indan-2-yl-N''-propyl)-4-aminobutyl]methylcarboxamide
CID 52937773
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)acetamide
CID 53268
Propionamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 210300
N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
CID 10307996
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-3-methylbutanamide
CID 3058669
(2E)-N-cyclopropyl-2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)acetamide
CID 11139388
N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
CID 10171489
Ethyltrifluoromethylaminoindane
CID 10331389
2,2,2-trifluoro-N-[2-(4-methylphenyl)ethyl]acetamide
CID 85700803
3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide
CID 134222036

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide (CID 10171647) is N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide is CCc1cc2c(cc1CC)CC(NC(=O)C(F)(F)F)C2.
What is the InChIKey of N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is OHWRMLUHAZLNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-3-9-5-11-7-13(19-14(20)15(16,17)18)8-12(11)6-10(9)4-2/h5-6,13H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 285.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10171647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).