4-bromo-1-cyclobutyl-2-fluorobenzene

C10H10BrF — CID 130893148

IUPAC4-bromo-1-cyclobutyl-2-fluorobenzene
SMILESFc1cc(Br)ccc1C1CCC1
InChIInChI=1S/C10H10BrF/c11-8-4-5-9(10(12)6-8)7-2-1-3-7/h4-7H,1-3H2
InChIKeyMDVPOJVKVVHSNP-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.86
Rot. Bonds1

About 4-bromo-1-cyclobutyl-2-fluorobenzene

4-bromo-1-cyclobutyl-2-fluorobenzene (PubChem CID 130893148) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 4-bromo-1-cyclobutyl-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-cyclobutyl-2-fluorobenzene
PubChem CID130893148
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name4-bromo-1-cyclobutyl-2-fluorobenzene
SMILESFc1cc(Br)ccc1C1CCC1
InChIInChI=1S/C10H10BrF/c11-8-4-5-9(10(12)6-8)7-2-1-3-7/h4-7H,1-3H2
InChIKeyMDVPOJVKVVHSNP-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclobutyl-2-fluorobenzene?
The IUPAC name of 4-bromo-1-cyclobutyl-2-fluorobenzene (CID 130893148) is 4-bromo-1-cyclobutyl-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-cyclobutyl-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-cyclobutyl-2-fluorobenzene is Fc1cc(Br)ccc1C1CCC1.
What is the InChIKey of 4-bromo-1-cyclobutyl-2-fluorobenzene?
The InChIKey is MDVPOJVKVVHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c11-8-4-5-9(10(12)6-8)7-2-1-3-7/h4-7H,1-3H2.
What are the key properties of 4-bromo-1-cyclobutyl-2-fluorobenzene?
4-bromo-1-cyclobutyl-2-fluorobenzene has a molecular weight of 229.09 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclobutyl-2-fluorobenzene is sourced from PubChem (CID 130893148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).