3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene

C15H11ClF2 — CID 13154747

IUPAC3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene
SMILESFc1ccc(C2CC(Cl)c3cc(F)ccc32)cc1
InChIInChI=1S/C15H11ClF2/c16-15-8-13(9-1-3-10(17)4-2-9)12-6-5-11(18)7-14(12)15/h1-7,13,15H,8H2
InChIKeyUTAHPBAXSBVJTJ-UHFFFAOYSA-N
MW264.70 g/mol
LogP4.78
Rot. Bonds1

About 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene

3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene (PubChem CID 13154747) has the molecular formula C15H11ClF2 and a molecular weight of 264.70 g/mol. Its IUPAC name is 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene
PubChem CID13154747
Molecular FormulaC15H11ClF2
Molecular Weight264.70 g/mol
Exact Mass264.05
IUPAC Name3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene
SMILESFc1ccc(C2CC(Cl)c3cc(F)ccc32)cc1
InChIInChI=1S/C15H11ClF2/c16-15-8-13(9-1-3-10(17)4-2-9)12-6-5-11(18)7-14(12)15/h1-7,13,15H,8H2
InChIKeyUTAHPBAXSBVJTJ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene?
The IUPAC name of 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene (CID 13154747) is 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene is Fc1ccc(C2CC(Cl)c3cc(F)ccc32)cc1.
What is the InChIKey of 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene?
The InChIKey is UTAHPBAXSBVJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2/c16-15-8-13(9-1-3-10(17)4-2-9)12-6-5-11(18)7-14(12)15/h1-7,13,15H,8H2.
What are the key properties of 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene?
3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene has a molecular weight of 264.70 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-1-(4-fluorophenyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 13154747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).