1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene

C10H9BrF2 — CID 63822107

IUPAC1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene
SMILESCC1CC(Br)c2cc(F)cc(F)c21
InChIInChI=1S/C10H9BrF2/c1-5-2-8(11)7-3-6(12)4-9(13)10(5)7/h3-5,8H,2H2,1H3
InChIKeyMMJRCMWYHKHFCJ-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.91
Rot. Bonds

About 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene

1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene (PubChem CID 63822107) has the molecular formula C10H9BrF2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene
PubChem CID63822107
Molecular FormulaC10H9BrF2
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Name1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene
SMILESCC1CC(Br)c2cc(F)cc(F)c21
InChIInChI=1S/C10H9BrF2/c1-5-2-8(11)7-3-6(12)4-9(13)10(5)7/h3-5,8H,2H2,1H3
InChIKeyMMJRCMWYHKHFCJ-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.91
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 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene (CID 63822107) is 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene is CC1CC(Br)c2cc(F)cc(F)c21.
What is the InChIKey of 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene?
The InChIKey is MMJRCMWYHKHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2/c1-5-2-8(11)7-3-6(12)4-9(13)10(5)7/h3-5,8H,2H2,1H3.
What are the key properties of 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene?
1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene has a molecular weight of 247.08 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 63822107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).