(2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate

C11H8F4O2 — CID 154713436

IUPAC(2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(OC1c2ccccc2CC1F)C(F)(F)F
InChIInChI=1S/C11H8F4O2/c12-8-5-6-3-1-2-4-7(6)9(8)17-10(16)11(13,14)15/h1-4,8-9H,5H2
InChIKeyGOMZUFPERQMOEX-UHFFFAOYSA-N
MW248.17 g/mol
LogP2.73
Rot. Bonds1

About (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate

(2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate (PubChem CID 154713436) has the molecular formula C11H8F4O2 and a molecular weight of 248.17 g/mol. Its IUPAC name is (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate
PubChem CID154713436
Molecular FormulaC11H8F4O2
Molecular Weight248.17 g/mol
Exact Mass248.05
IUPAC Name(2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(OC1c2ccccc2CC1F)C(F)(F)F
InChIInChI=1S/C11H8F4O2/c12-8-5-6-3-1-2-4-7(6)9(8)17-10(16)11(13,14)15/h1-4,8-9H,5H2
InChIKeyGOMZUFPERQMOEX-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate (CID 154713436) is (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate is O=C(OC1c2ccccc2CC1F)C(F)(F)F.
What is the InChIKey of (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is GOMZUFPERQMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4O2/c12-8-5-6-3-1-2-4-7(6)9(8)17-10(16)11(13,14)15/h1-4,8-9H,5H2.
What are the key properties of (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate?
(2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 248.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 154713436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).