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

C13H14F3NO — CID 10171489

IUPACN-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1ccc2c(c1)CC(NC(=O)C(F)(F)F)C2
InChIInChI=1S/C13H14F3NO/c1-2-8-3-4-9-6-11(7-10(9)5-8)17-12(18)13(14,15)16/h3-5,11H,2,6-7H2,1H3,(H,17,18)
InChIKeyJUKKOFDOKRVDKM-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.39
Rot. Bonds2

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

N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 10171489) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
PubChem CID10171489
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1ccc2c(c1)CC(NC(=O)C(F)(F)F)C2
InChIInChI=1S/C13H14F3NO/c1-2-8-3-4-9-6-11(7-10(9)5-8)17-12(18)13(14,15)16/h3-5,11H,2,6-7H2,1H3,(H,17,18)
InChIKeyJUKKOFDOKRVDKM-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.39
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-Trifluoroacetyl amphetamine
CID 530398
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-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 302326
9-(2,2,2-Trifluoroacetamido)fluorene
CID 245480
(2E)-N-cyclopropyl-2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)acetamide
CID 11139388
N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
CID 10171647
Ethyltrifluoromethylaminoindane
CID 10331389

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide (CID 10171489) is N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide is CCc1ccc2c(c1)CC(NC(=O)C(F)(F)F)C2.
What is the InChIKey of N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is JUKKOFDOKRVDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-2-8-3-4-9-6-11(7-10(9)5-8)17-12(18)13(14,15)16/h3-5,11H,2,6-7H2,1H3,(H,17,18).
What are the key properties of N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 257.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10171489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).