2-bromo-1-cyclopropyl-3-fluorobenzene

C9H8BrF — CID 66728348

IUPAC2-bromo-1-cyclopropyl-3-fluorobenzene
SMILESFc1cccc(C2CC2)c1Br
InChIInChI=1S/C9H8BrF/c10-9-7(6-4-5-6)2-1-3-8(9)11/h1-3,6H,4-5H2
InChIKeyKPJCGVKPBLXUEE-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.47
Rot. Bonds1

About 2-bromo-1-cyclopropyl-3-fluorobenzene

2-bromo-1-cyclopropyl-3-fluorobenzene (PubChem CID 66728348) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyl-3-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-cyclopropyl-3-fluorobenzene
PubChem CID66728348
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name2-bromo-1-cyclopropyl-3-fluorobenzene
SMILESFc1cccc(C2CC2)c1Br
InChIInChI=1S/C9H8BrF/c10-9-7(6-4-5-6)2-1-3-8(9)11/h1-3,6H,4-5H2
InChIKeyKPJCGVKPBLXUEE-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropyl-3-fluorobenzene?
The IUPAC name of 2-bromo-1-cyclopropyl-3-fluorobenzene (CID 66728348) is 2-bromo-1-cyclopropyl-3-fluorobenzene.
What is the SMILES notation for 2-bromo-1-cyclopropyl-3-fluorobenzene?
The canonical SMILES for 2-bromo-1-cyclopropyl-3-fluorobenzene is Fc1cccc(C2CC2)c1Br.
What is the InChIKey of 2-bromo-1-cyclopropyl-3-fluorobenzene?
The InChIKey is KPJCGVKPBLXUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c10-9-7(6-4-5-6)2-1-3-8(9)11/h1-3,6H,4-5H2.
What are the key properties of 2-bromo-1-cyclopropyl-3-fluorobenzene?
2-bromo-1-cyclopropyl-3-fluorobenzene has a molecular weight of 215.06 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopropyl-3-fluorobenzene is sourced from PubChem (CID 66728348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).