4-bromo-5-cyclopropyl-2-fluorophenol

C9H8BrFO — CID 155908880

IUPAC4-bromo-5-cyclopropyl-2-fluorophenol
SMILESOc1cc(C2CC2)c(Br)cc1F
InChIInChI=1S/C9H8BrFO/c10-7-4-8(11)9(12)3-6(7)5-1-2-5/h3-5,12H,1-2H2
InChIKeyOWQJPUSAAXAORB-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.17
Rot. Bonds1

About 4-bromo-5-cyclopropyl-2-fluorophenol

4-bromo-5-cyclopropyl-2-fluorophenol (PubChem CID 155908880) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-2-fluorophenol.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-2-fluorophenol
PubChem CID155908880
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name4-bromo-5-cyclopropyl-2-fluorophenol
SMILESOc1cc(C2CC2)c(Br)cc1F
InChIInChI=1S/C9H8BrFO/c10-7-4-8(11)9(12)3-6(7)5-1-2-5/h3-5,12H,1-2H2
InChIKeyOWQJPUSAAXAORB-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-2-fluorophenol?
The IUPAC name of 4-bromo-5-cyclopropyl-2-fluorophenol (CID 155908880) is 4-bromo-5-cyclopropyl-2-fluorophenol.
What is the SMILES notation for 4-bromo-5-cyclopropyl-2-fluorophenol?
The canonical SMILES for 4-bromo-5-cyclopropyl-2-fluorophenol is Oc1cc(C2CC2)c(Br)cc1F.
What is the InChIKey of 4-bromo-5-cyclopropyl-2-fluorophenol?
The InChIKey is OWQJPUSAAXAORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-7-4-8(11)9(12)3-6(7)5-1-2-5/h3-5,12H,1-2H2.
What are the key properties of 4-bromo-5-cyclopropyl-2-fluorophenol?
4-bromo-5-cyclopropyl-2-fluorophenol has a molecular weight of 231.06 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-2-fluorophenol is sourced from PubChem (CID 155908880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).