2-(2-fluoroethyl)-2,3-dihydroinden-1-one

C11H11FO — CID 80695760

IUPAC2-(2-fluoroethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CCF
InChIInChI=1S/C11H11FO/c12-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-4,9H,5-7H2
InChIKeyVKXWYNVHXMBPKG-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.40
Rot. Bonds2

About 2-(2-fluoroethyl)-2,3-dihydroinden-1-one

2-(2-fluoroethyl)-2,3-dihydroinden-1-one (PubChem CID 80695760) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-2,3-dihydroinden-1-one
PubChem CID80695760
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name2-(2-fluoroethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CCF
InChIInChI=1S/C11H11FO/c12-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-4,9H,5-7H2
InChIKeyVKXWYNVHXMBPKG-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phenindione
CID 4760
Diphacinone
CID 6719
Pindone
CID 6732
Fluindione
CID 68942
Celestolide
CID 61585
Fluorenone
CID 10241
Valone
CID 6733
2-Methylacetophenone
CID 11340
4-Isopropylacetophenone
CID 12578
1-Acenaphthenone
CID 75229
2-Indanone
CID 11983
Isobutyrophenone
CID 69144

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(2-fluoroethyl)-2,3-dihydroinden-1-one (CID 80695760) is 2-(2-fluoroethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(2-fluoroethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(2-fluoroethyl)-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1CCF.
What is the InChIKey of 2-(2-fluoroethyl)-2,3-dihydroinden-1-one?
The InChIKey is VKXWYNVHXMBPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c12-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-4,9H,5-7H2.
What are the key properties of 2-(2-fluoroethyl)-2,3-dihydroinden-1-one?
2-(2-fluoroethyl)-2,3-dihydroinden-1-one has a molecular weight of 178.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 80695760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).