1-bromo-3-(1-fluorocyclopropyl)benzene

C9H8BrF — CID 84723694

IUPAC1-bromo-3-(1-fluorocyclopropyl)benzene
SMILESFC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C9H8BrF/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5H2
InChIKeyZWAGAJBWSASIFZ-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.41
Rot. Bonds1

About 1-bromo-3-(1-fluorocyclopropyl)benzene

1-bromo-3-(1-fluorocyclopropyl)benzene (PubChem CID 84723694) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 1-bromo-3-(1-fluorocyclopropyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1-fluorocyclopropyl)benzene
PubChem CID84723694
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name1-bromo-3-(1-fluorocyclopropyl)benzene
SMILESFC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C9H8BrF/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5H2
InChIKeyZWAGAJBWSASIFZ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-fluorocyclopropyl)benzene?
The IUPAC name of 1-bromo-3-(1-fluorocyclopropyl)benzene (CID 84723694) is 1-bromo-3-(1-fluorocyclopropyl)benzene.
What is the SMILES notation for 1-bromo-3-(1-fluorocyclopropyl)benzene?
The canonical SMILES for 1-bromo-3-(1-fluorocyclopropyl)benzene is FC1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-bromo-3-(1-fluorocyclopropyl)benzene?
The InChIKey is ZWAGAJBWSASIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5H2.
What are the key properties of 1-bromo-3-(1-fluorocyclopropyl)benzene?
1-bromo-3-(1-fluorocyclopropyl)benzene has a molecular weight of 215.06 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-fluorocyclopropyl)benzene is sourced from PubChem (CID 84723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).