2,6-dichloro-2-fluoro-3H-inden-1-one

C9H5Cl2FO — CID 154723310

IUPAC2,6-dichloro-2-fluoro-3H-inden-1-one
SMILESO=C1c2cc(Cl)ccc2CC1(F)Cl
InChIInChI=1S/C9H5Cl2FO/c10-6-2-1-5-4-9(11,12)8(13)7(5)3-6/h1-3H,4H2
InChIKeyVYHPWFTVGMBNFJ-UHFFFAOYSA-N
MW219.04 g/mol
LogP2.98
Rot. Bonds

About 2,6-dichloro-2-fluoro-3H-inden-1-one

2,6-dichloro-2-fluoro-3H-inden-1-one (PubChem CID 154723310) has the molecular formula C9H5Cl2FO and a molecular weight of 219.04 g/mol. Its IUPAC name is 2,6-dichloro-2-fluoro-3H-inden-1-one.

Molecular Properties

Compound Name2,6-dichloro-2-fluoro-3H-inden-1-one
PubChem CID154723310
Molecular FormulaC9H5Cl2FO
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name2,6-dichloro-2-fluoro-3H-inden-1-one
SMILESO=C1c2cc(Cl)ccc2CC1(F)Cl
InChIInChI=1S/C9H5Cl2FO/c10-6-2-1-5-4-9(11,12)8(13)7(5)3-6/h1-3H,4H2
InChIKeyVYHPWFTVGMBNFJ-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 166610621
6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one
CID 18982993
2-chloro-7-methyl-10H-anthracen-9-one
CID 11806832
6-chloro-3H-2-benzothiophen-1-one
CID 13370337
(2E)-6-chloro-2-hydroxyimino-3H-inden-1-one
CID 91621228
7-chlorospiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993539
6-chloro-2-propan-2-yl-3H-isoindol-1-one
CID 126654239
5-chloro-3,3-bis(trifluoromethyl)-2H-inden-1-one
CID 167432461
(2R)-N-(4-tert-butylphenyl)-5-chloro-2-cyano-3-oxo-1H-indene-2-carboxamide
CID 177480918
2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one
CID 86212326
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
CID 86611692
6-chloro-2-iodo-3H-isoindol-1-one
CID 130250910

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-2-fluoro-3H-inden-1-one?
The IUPAC name of 2,6-dichloro-2-fluoro-3H-inden-1-one (CID 154723310) is 2,6-dichloro-2-fluoro-3H-inden-1-one.
What is the SMILES notation for 2,6-dichloro-2-fluoro-3H-inden-1-one?
The canonical SMILES for 2,6-dichloro-2-fluoro-3H-inden-1-one is O=C1c2cc(Cl)ccc2CC1(F)Cl.
What is the InChIKey of 2,6-dichloro-2-fluoro-3H-inden-1-one?
The InChIKey is VYHPWFTVGMBNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FO/c10-6-2-1-5-4-9(11,12)8(13)7(5)3-6/h1-3H,4H2.
What are the key properties of 2,6-dichloro-2-fluoro-3H-inden-1-one?
2,6-dichloro-2-fluoro-3H-inden-1-one has a molecular weight of 219.04 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-2-fluoro-3H-inden-1-one is sourced from PubChem (CID 154723310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).