6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one

C15H10ClFO — CID 169409879

IUPAC6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(-c3cccc(Cl)c3F)cc21
InChIInChI=1S/C15H10ClFO/c16-13-3-1-2-11(15(13)17)10-5-4-9-6-7-14(18)12(9)8-10/h1-5,8H,6-7H2
InChIKeyOWCCQWVSPIKDGH-UHFFFAOYSA-N
MW260.69 g/mol
LogP4.28
Rot. Bonds1

About 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one

6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one (PubChem CID 169409879) has the molecular formula C15H10ClFO and a molecular weight of 260.69 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one
PubChem CID169409879
Molecular FormulaC15H10ClFO
Molecular Weight260.69 g/mol
Exact Mass260.04
IUPAC Name6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(-c3cccc(Cl)c3F)cc21
InChIInChI=1S/C15H10ClFO/c16-13-3-1-2-11(15(13)17)10-5-4-9-6-7-14(18)12(9)8-10/h1-5,8H,6-7H2
InChIKeyOWCCQWVSPIKDGH-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(3-chloro-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 169422658
5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one
CID 114081007
6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one
CID 169409882
6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one
CID 169409888
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 58058665
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
6-(difluoromethyl)-2,3-dihydroinden-1-one
CID 55275022
2-(3-chloro-2-fluorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975701
7-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
CID 169422656
2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid
CID 176514361
1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875897
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one (CID 169409879) is 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one is O=C1CCc2ccc(-c3cccc(Cl)c3F)cc21.
What is the InChIKey of 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one?
The InChIKey is OWCCQWVSPIKDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO/c16-13-3-1-2-11(15(13)17)10-5-4-9-6-7-14(18)12(9)8-10/h1-5,8H,6-7H2.
What are the key properties of 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one?
6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one has a molecular weight of 260.69 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 169409879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).