2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one

C11H7F3O3 — CID 23361012

IUPAC2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(C(=O)C(F)(F)F)ccc2CC1O
InChIInChI=1S/C11H7F3O3/c12-11(13,14)10(17)6-2-1-5-4-8(15)9(16)7(5)3-6/h1-3,8,15H,4H2
InChIKeyCZTVDJNCPWFWNU-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.53
Rot. Bonds1

About 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one

2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one (PubChem CID 23361012) has the molecular formula C11H7F3O3 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one
PubChem CID23361012
Molecular FormulaC11H7F3O3
Molecular Weight244.17 g/mol
Exact Mass244.03
IUPAC Name2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(C(=O)C(F)(F)F)ccc2CC1O
InChIInChI=1S/C11H7F3O3/c12-11(13,14)10(17)6-2-1-5-4-8(15)9(16)7(5)3-6/h1-3,8,15H,4H2
InChIKeyCZTVDJNCPWFWNU-UHFFFAOYSA-N
XLogP1.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one (CID 23361012) is 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one is O=C1c2cc(C(=O)C(F)(F)F)ccc2CC1O.
What is the InChIKey of 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one?
The InChIKey is CZTVDJNCPWFWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O3/c12-11(13,14)10(17)6-2-1-5-4-8(15)9(16)7(5)3-6/h1-3,8,15H,4H2.
What are the key properties of 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one?
2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one has a molecular weight of 244.17 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 23361012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).