1-bromo-2-(3-fluorocyclobutyl)benzene

C10H10BrF — CID 115036967

IUPAC1-bromo-2-(3-fluorocyclobutyl)benzene
SMILESFC1CC(c2ccccc2Br)C1
InChIInChI=1S/C10H10BrF/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6H2
InChIKeyQJWUUBLSDXMALX-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.66
Rot. Bonds1

About 1-bromo-2-(3-fluorocyclobutyl)benzene

1-bromo-2-(3-fluorocyclobutyl)benzene (PubChem CID 115036967) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 1-bromo-2-(3-fluorocyclobutyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(3-fluorocyclobutyl)benzene
PubChem CID115036967
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name1-bromo-2-(3-fluorocyclobutyl)benzene
SMILESFC1CC(c2ccccc2Br)C1
InChIInChI=1S/C10H10BrF/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6H2
InChIKeyQJWUUBLSDXMALX-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-fluorocyclobutyl)benzene?
The IUPAC name of 1-bromo-2-(3-fluorocyclobutyl)benzene (CID 115036967) is 1-bromo-2-(3-fluorocyclobutyl)benzene.
What is the SMILES notation for 1-bromo-2-(3-fluorocyclobutyl)benzene?
The canonical SMILES for 1-bromo-2-(3-fluorocyclobutyl)benzene is FC1CC(c2ccccc2Br)C1.
What is the InChIKey of 1-bromo-2-(3-fluorocyclobutyl)benzene?
The InChIKey is QJWUUBLSDXMALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6H2.
What are the key properties of 1-bromo-2-(3-fluorocyclobutyl)benzene?
1-bromo-2-(3-fluorocyclobutyl)benzene has a molecular weight of 229.09 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-fluorocyclobutyl)benzene is sourced from PubChem (CID 115036967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).