2-bromo-1-cyclopropyl-4-fluorobenzene

C9H8BrF — CID 66521203

IUPAC2-bromo-1-cyclopropyl-4-fluorobenzene
SMILESFc1ccc(C2CC2)c(Br)c1
InChIInChI=1S/C9H8BrF/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2H2
InChIKeyQPLHBELYGUNHNU-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.47
Rot. Bonds1

About 2-bromo-1-cyclopropyl-4-fluorobenzene

2-bromo-1-cyclopropyl-4-fluorobenzene (PubChem CID 66521203) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyl-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-cyclopropyl-4-fluorobenzene
PubChem CID66521203
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name2-bromo-1-cyclopropyl-4-fluorobenzene
SMILESFc1ccc(C2CC2)c(Br)c1
InChIInChI=1S/C9H8BrF/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2H2
InChIKeyQPLHBELYGUNHNU-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-4-fluorobenzene?
The IUPAC name of 2-bromo-1-cyclopropyl-4-fluorobenzene (CID 66521203) is 2-bromo-1-cyclopropyl-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-cyclopropyl-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-cyclopropyl-4-fluorobenzene is Fc1ccc(C2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-cyclopropyl-4-fluorobenzene?
The InChIKey is QPLHBELYGUNHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-bromo-1-cyclopropyl-4-fluorobenzene?
2-bromo-1-cyclopropyl-4-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-4-fluorobenzene is sourced from PubChem (CID 66521203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).