5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene

C18H18BrF — CID 79454542

IUPAC5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
SMILESFc1ccccc1C(CBr)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18BrF/c19-12-16(17-6-1-2-7-18(17)20)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,16H,3-5,11-12H2
InChIKeyXHFAZNCHIGSHLX-UHFFFAOYSA-N
MW333.24 g/mol
LogP5.04
Rot. Bonds4

About 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene

5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene (PubChem CID 79454542) has the molecular formula C18H18BrF and a molecular weight of 333.24 g/mol. Its IUPAC name is 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
PubChem CID79454542
Molecular FormulaC18H18BrF
Molecular Weight333.24 g/mol
Exact Mass332.06
IUPAC Name5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
SMILESFc1ccccc1C(CBr)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18BrF/c19-12-16(17-6-1-2-7-18(17)20)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,16H,3-5,11-12H2
InChIKeyXHFAZNCHIGSHLX-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.24
LogP ≤ 55.04
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

1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803383
5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66041314
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
[1-(2,3-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310733
1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 115803489
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79433976
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene (CID 79454542) is 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene is Fc1ccccc1C(CBr)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The InChIKey is XHFAZNCHIGSHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF/c19-12-16(17-6-1-2-7-18(17)20)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,16H,3-5,11-12H2.
What are the key properties of 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene has a molecular weight of 333.24 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 79454542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).