(1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene

C15H10Cl3F — CID 129405694

IUPAC(1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene
SMILESFc1ccc2c(c1)[C@@H](Cl)C[C@@H]2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3F/c16-13-4-1-8(5-15(13)18)11-7-14(17)12-6-9(19)2-3-10(11)12/h1-6,11,14H,7H2/t11-,14+/m1/s1
InChIKeyBZHYRJBFMAABAK-RISCZKNCSA-N
MW315.60 g/mol
LogP5.95
Rot. Bonds1

About (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene

(1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene (PubChem CID 129405694) has the molecular formula C15H10Cl3F and a molecular weight of 315.60 g/mol. Its IUPAC name is (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene
PubChem CID129405694
Molecular FormulaC15H10Cl3F
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name(1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene
SMILESFc1ccc2c(c1)[C@@H](Cl)C[C@@H]2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3F/c16-13-4-1-8(5-15(13)18)11-7-14(17)12-6-9(19)2-3-10(11)12/h1-6,11,14H,7H2/t11-,14+/m1/s1
InChIKeyBZHYRJBFMAABAK-RISCZKNCSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.60
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene 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

(1S,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-methoxy-2,3-dihydro-1H-indene
CID 131864192
(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 129382987
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405682
(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683
(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 131864185
(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45264957
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58591995
(1S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 46781183
1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
CID 22826279
[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl] methanesulfonate
CID 125481391

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene (CID 129405694) is (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene is Fc1ccc2c(c1)[C@@H](Cl)C[C@@H]2c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene?
The InChIKey is BZHYRJBFMAABAK-RISCZKNCSA-N. The full InChI is InChI=1S/C15H10Cl3F/c16-13-4-1-8(5-15(13)18)11-7-14(17)12-6-9(19)2-3-10(11)12/h1-6,11,14H,7H2/t11-,14+/m1/s1.
What are the key properties of (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene?
(1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene has a molecular weight of 315.60 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 129405694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).