(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one

C15H10ClFO — CID 129405671

IUPAC(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1C[C@@H](c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C15H10ClFO/c16-13-7-9(5-6-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2/t12-/m0/s1
InChIKeyZVOFQLRWMFJKCN-LBPRGKRZSA-N
MW260.70 g/mol
LogP4.20
Rot. Bonds1

About (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one

(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one (PubChem CID 129405671) has the molecular formula C15H10ClFO and a molecular weight of 260.70 g/mol. Its IUPAC name is (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
PubChem CID129405671
Molecular FormulaC15H10ClFO
Molecular Weight260.70 g/mol
Exact Mass260.04
IUPAC Name(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1C[C@@H](c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C15H10ClFO/c16-13-7-9(5-6-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2/t12-/m0/s1
InChIKeyZVOFQLRWMFJKCN-LBPRGKRZSA-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 ≤ 500260.70
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 102058464
(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 131864185
(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
CID 129390835
3-(2,3-dichlorophenyl)-2,3-dihydroinden-1-one
CID 59581979
4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one
CID 81157204
(3S)-3-(4-chlorophenyl)-6-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 125481519
3-(3-chloro-2-methylphenyl)-2,3-dihydroinden-1-one
CID 70835059
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260277
(2Z)-4-(3,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3,4-dihydronaphthalen-1-one
CID 67426551
4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 118087557
(3S)-6-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydroinden-1-one
CID 89287069
3-(3-chloro-4-fluorophenyl)-2-methylcyclobutan-1-one
CID 81418582

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one (CID 129405671) is (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one is O=C1C[C@@H](c2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one?
The InChIKey is ZVOFQLRWMFJKCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H10ClFO/c16-13-7-9(5-6-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2/t12-/m0/s1.
What are the key properties of (3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one?
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one has a molecular weight of 260.70 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)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 129405671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).