2-benzoyl-5-fluoro-2,3-dihydroinden-1-one

C16H11FO2 — CID 116531409

IUPAC2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
SMILESO=C(c1ccccc1)C1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C16H11FO2/c17-12-6-7-13-11(8-12)9-14(16(13)19)15(18)10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyQUTLIUSOVFNBLK-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.06
Rot. Bonds2

About 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one

2-benzoyl-5-fluoro-2,3-dihydroinden-1-one (PubChem CID 116531409) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
PubChem CID116531409
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
SMILESO=C(c1ccccc1)C1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C16H11FO2/c17-12-6-7-13-11(8-12)9-14(16(13)19)15(18)10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyQUTLIUSOVFNBLK-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methylbenzamide
CID 134118733
2-benzoyl-4-fluoro-2,3-dihydroinden-1-one
CID 83066498
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
2-chloro-5-fluoro-2,3-dihydroinden-1-one
CID 116531382
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
CID 98010345
(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
CID 175010012
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide
CID 134106187
(2S)-2-(1-benzylpyridin-1-ium-4-carbonyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 98114223
3-benzoyl-3,4-dihydro-1H-quinolin-2-one
CID 154640290
2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one
CID 69201252
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 134115833

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one?
The IUPAC name of 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one (CID 116531409) is 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one?
The canonical SMILES for 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one is O=C(c1ccccc1)C1Cc2cc(F)ccc2C1=O.
What is the InChIKey of 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one?
The InChIKey is QUTLIUSOVFNBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c17-12-6-7-13-11(8-12)9-14(16(13)19)15(18)10-4-2-1-3-5-10/h1-8,14H,9H2.
What are the key properties of 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one?
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one has a molecular weight of 254.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-fluoro-2,3-dihydroinden-1-one is sourced from PubChem (CID 116531409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).