5-(trifluoromethoxy)-2,3-dihydroinden-1-one

C10H7F3O2 — CID 22119026

IUPAC5-(trifluoromethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C10H7F3O2/c11-10(12,13)15-7-2-3-8-6(5-7)1-4-9(8)14/h2-3,5H,1,4H2
InChIKeyDJGOAKVCWWDUHQ-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.71
Rot. Bonds1

About 5-(trifluoromethoxy)-2,3-dihydroinden-1-one

5-(trifluoromethoxy)-2,3-dihydroinden-1-one (PubChem CID 22119026) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(trifluoromethoxy)-2,3-dihydroinden-1-one
PubChem CID22119026
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name5-(trifluoromethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C10H7F3O2/c11-10(12,13)15-7-2-3-8-6(5-7)1-4-9(8)14/h2-3,5H,1,4H2
InChIKeyDJGOAKVCWWDUHQ-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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8-(trifluoromethoxy)-3,4-dihydro-2H-1-benzothiepin-5-one
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6-(trifluoromethoxy)-2,3-dihydro-1H-quinolin-4-one
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5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377916
N-fluoro-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
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5-(2-ethyl-2-hydroxybutoxy)-2,3-dihydroinden-1-one
CID 104985833
2-propan-2-yl-5-(trifluoromethoxy)-3H-isoindol-1-one
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5-(ethoxymethoxy)-2,3-dihydroinden-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(trifluoromethoxy)-2,3-dihydroinden-1-one (CID 22119026) is 5-(trifluoromethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(trifluoromethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(trifluoromethoxy)-2,3-dihydroinden-1-one is O=C1CCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 5-(trifluoromethoxy)-2,3-dihydroinden-1-one?
The InChIKey is DJGOAKVCWWDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-10(12,13)15-7-2-3-8-6(5-7)1-4-9(8)14/h2-3,5H,1,4H2.
What are the key properties of 5-(trifluoromethoxy)-2,3-dihydroinden-1-one?
5-(trifluoromethoxy)-2,3-dihydroinden-1-one has a molecular weight of 216.16 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 22119026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).