(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one

C15H10ClFO — CID 129390835

IUPAC(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](c2ccccc2F)c2cc(Cl)ccc21
InChIInChI=1S/C15H10ClFO/c16-9-5-6-11-12(7-9)13(8-15(11)18)10-3-1-2-4-14(10)17/h1-7,13H,8H2/t13-/m1/s1
InChIKeyHXILSFKNWITMNG-CYBMUJFWSA-N
MW260.69 g/mol
LogP4.20
Rot. Bonds1

About (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one

(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one (PubChem CID 129390835) has the molecular formula C15H10ClFO and a molecular weight of 260.69 g/mol. Its IUPAC name is (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
PubChem CID129390835
Molecular FormulaC15H10ClFO
Molecular Weight260.69 g/mol
Exact Mass260.04
IUPAC Name(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](c2ccccc2F)c2cc(Cl)ccc21
InChIInChI=1S/C15H10ClFO/c16-9-5-6-11-12(7-9)13(8-15(11)18)10-3-1-2-4-14(10)17/h1-7,13H,8H2/t13-/m1/s1
InChIKeyHXILSFKNWITMNG-CYBMUJFWSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 102058464
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
CID 129405671
6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 102058457
3-(2,3-dichlorophenyl)-2,3-dihydroinden-1-one
CID 59581979
3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 134982327
4-(5-chloro-2-fluorophenyl)azetidin-2-one
CID 114866834
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
3-(3-chloro-2-methylphenyl)-2,3-dihydroinden-1-one
CID 70835059
2-(2-fluorophenyl)-6-hydroxy-2,3-dihydroinden-1-one
CID 141285969
7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060707
7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-iodo-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 137458119

Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one (CID 129390835) is (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one is O=C1C[C@H](c2ccccc2F)c2cc(Cl)ccc21.
What is the InChIKey of (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one?
The InChIKey is HXILSFKNWITMNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H10ClFO/c16-9-5-6-11-12(7-9)13(8-15(11)18)10-3-1-2-4-14(10)17/h1-7,13H,8H2/t13-/m1/s1.
What are the key properties of (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one?
(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one has a molecular weight of 260.69 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 129390835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).