N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide

C12H12F3NO — CID 59239818

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1Cc2ccccc2C1
InChIInChI=1S/C12H12F3NO/c1-16(11(17)12(13,14)15)10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3
InChIKeyNHGCWRLDIULZFE-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.17
Rot. Bonds1

About N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide

N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 59239818) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID59239818
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1Cc2ccccc2C1
InChIInChI=1S/C12H12F3NO/c1-16(11(17)12(13,14)15)10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3
InChIKeyNHGCWRLDIULZFE-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoro-N-(2-indan-1-yl-ethyl)-acetamide
CID 11097218
N-Trifluoroacetyldeoxyephedrine
CID 4601088
N-[(N''-Indan-2-yl-N''-propyl)-4-aminobutyl]methylcarboxamide
CID 52937773
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
CID 11779944
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
1-Indanamine, N-(2-dimethylaminopropionyl)-N-methyl-, hydrochloride
CID 110884
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134792414
N-(4-phenylbutyl)-N-(trifluoromethyl)acetamide
CID 176438386
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide (CID 59239818) is N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is NHGCWRLDIULZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-16(11(17)12(13,14)15)10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 243.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 59239818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).