4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one

C16H11FO2 — CID 13193099

IUPAC4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11FO2/c17-11-6-4-10(5-7-11)16(19)14-3-1-2-13-12(14)8-9-15(13)18/h1-7H,8-9H2
InChIKeyLPLDBRRYEQPJDU-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.19
Rot. Bonds2

About 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one

4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one (PubChem CID 13193099) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
PubChem CID13193099
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11FO2/c17-11-6-4-10(5-7-11)16(19)14-3-1-2-13-12(14)8-9-15(13)18/h1-7H,8-9H2
InChIKeyLPLDBRRYEQPJDU-UHFFFAOYSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromobenzoyl)-2,3-dihydroinden-1-one
CID 13193100
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
N,N-dimethyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 69203390
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(4-fluorophenyl)-phenylmethanone
CID 161464622
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
[2-(4-fluorobenzoyl)phenyl]azanium
CID 101152012
2-(4-fluorobenzoyl)benzoate
CID 5082940
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
3-(4-fluorobenzoyl)-2-methylbenzenediazonium
CID 21495657

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one (CID 13193099) is 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one is O=C1CCc2c1cccc2C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one?
The InChIKey is LPLDBRRYEQPJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c17-11-6-4-10(5-7-11)16(19)14-3-1-2-13-12(14)8-9-15(13)18/h1-7H,8-9H2.
What are the key properties of 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one?
4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one has a molecular weight of 254.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 13193099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).