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

C11H10F3NO — CID 14511476

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCc2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,15,16)
InChIKeyYUPHAYFQAVLCRV-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.35
Rot. Bonds1

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

N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide (PubChem CID 14511476) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide
PubChem CID14511476
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCc2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,15,16)
InChIKeyYUPHAYFQAVLCRV-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide (CID 14511476) is N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCc2ccccc21)C(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide?
The InChIKey is YUPHAYFQAVLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,15,16).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide has a molecular weight of 229.20 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14511476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).