(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene

C15H12ClF — CID 129382987

IUPAC(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene
SMILESFc1ccc([C@H]2C[C@@H](Cl)c3ccccc32)cc1
InChIInChI=1S/C15H12ClF/c16-15-9-14(10-5-7-11(17)8-6-10)12-3-1-2-4-13(12)15/h1-8,14-15H,9H2/t14-,15-/m1/s1
InChIKeyWIDZVWULMHICJQ-HUUCEWRRSA-N
MW246.71 g/mol
LogP4.64
Rot. Bonds1

About (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene

(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene (PubChem CID 129382987) has the molecular formula C15H12ClF and a molecular weight of 246.71 g/mol. Its IUPAC name is (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene
PubChem CID129382987
Molecular FormulaC15H12ClF
Molecular Weight246.71 g/mol
Exact Mass246.06
IUPAC Name(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene
SMILESFc1ccc([C@H]2C[C@@H](Cl)c3ccccc32)cc1
InChIInChI=1S/C15H12ClF/c16-15-9-14(10-5-7-11(17)8-6-10)12-3-1-2-4-13(12)15/h1-8,14-15H,9H2/t14-,15-/m1/s1
InChIKeyWIDZVWULMHICJQ-HUUCEWRRSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 3020939
(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582051
(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405682
5-[(1S,3R)-3-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-benzodioxole
CID 129392555
(1R,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-indene
CID 129405694
3-bromo-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 19037743
(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 129383415
1-(4-fluorophenyl)-3,3-diphenyl-1,2-dihydroindene
CID 135029070
(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 131864185
4-chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalene
CID 63821012
1-fluoro-4-(2-methylidenecyclopropyl)benzene
CID 15862510

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene?
The IUPAC name of (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene (CID 129382987) is (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene is Fc1ccc([C@H]2C[C@@H](Cl)c3ccccc32)cc1.
What is the InChIKey of (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene?
The InChIKey is WIDZVWULMHICJQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H12ClF/c16-15-9-14(10-5-7-11(17)8-6-10)12-3-1-2-4-13(12)15/h1-8,14-15H,9H2/t14-,15-/m1/s1.
What are the key properties of (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene?
(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene has a molecular weight of 246.71 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 129382987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).