2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate

C11H9F3O2 — CID 91709708

IUPAC2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1Cc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2
InChIKeyGMJHJRZYENAALG-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.26
Rot. Bonds1

About 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate

2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate (PubChem CID 91709708) has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate
PubChem CID91709708
Molecular FormulaC11H9F3O2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Name2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1Cc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2
InChIKeyGMJHJRZYENAALG-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate (CID 91709708) is 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate is O=C(OC1Cc2ccccc2C1)C(F)(F)F.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate?
The InChIKey is GMJHJRZYENAALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate?
2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate has a molecular weight of 230.18 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91709708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).