5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene

C9H7BrClF — CID 131027555

IUPAC5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene
SMILESFc1c(Br)ccc2c1CCC2Cl
InChIInChI=1S/C9H7BrClF/c10-7-3-1-5-6(9(7)12)2-4-8(5)11/h1,3,8H,2,4H2
InChIKeyKTNSLOFTWSRBFT-UHFFFAOYSA-N
MW249.51 g/mol
LogP3.81
Rot. Bonds

About 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene

5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene (PubChem CID 131027555) has the molecular formula C9H7BrClF and a molecular weight of 249.51 g/mol. Its IUPAC name is 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene
PubChem CID131027555
Molecular FormulaC9H7BrClF
Molecular Weight249.51 g/mol
Exact Mass247.94
IUPAC Name5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene
SMILESFc1c(Br)ccc2c1CCC2Cl
InChIInChI=1S/C9H7BrClF/c10-7-3-1-5-6(9(7)12)2-4-8(5)11/h1,3,8H,2,4H2
InChIKeyKTNSLOFTWSRBFT-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.51
LogP ≤ 53.81
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 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene (CID 131027555) is 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene is Fc1c(Br)ccc2c1CCC2Cl.
What is the InChIKey of 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene?
The InChIKey is KTNSLOFTWSRBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF/c10-7-3-1-5-6(9(7)12)2-4-8(5)11/h1,3,8H,2,4H2.
What are the key properties of 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene?
5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene has a molecular weight of 249.51 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-4-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 131027555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).