3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene

C10H10BrF — CID 63821756

IUPAC3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
SMILESCC1CC(Br)c2cc(F)ccc21
InChIInChI=1S/C10H10BrF/c1-6-4-10(11)9-5-7(12)2-3-8(6)9/h2-3,5-6,10H,4H2,1H3
InChIKeySYONPOPEFRWUFW-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.77
Rot. Bonds

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

3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene (PubChem CID 63821756) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
PubChem CID63821756
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
SMILESCC1CC(Br)c2cc(F)ccc21
InChIInChI=1S/C10H10BrF/c1-6-4-10(11)9-5-7(12)2-3-8(6)9/h2-3,5-6,10H,4H2,1H3
InChIKeySYONPOPEFRWUFW-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 53.77
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-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene (CID 63821756) is 3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene is CC1CC(Br)c2cc(F)ccc21.
What is the InChIKey of 3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The InChIKey is SYONPOPEFRWUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c1-6-4-10(11)9-5-7(12)2-3-8(6)9/h2-3,5-6,10H,4H2,1H3.
What are the key properties of 3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 229.09 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 63821756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).