3-bromo-4-cyclopropyl-5-fluorophenol

C9H8BrFO — CID 162422044

IUPAC3-bromo-4-cyclopropyl-5-fluorophenol
SMILESOc1cc(F)c(C2CC2)c(Br)c1
InChIInChI=1S/C9H8BrFO/c10-7-3-6(12)4-8(11)9(7)5-1-2-5/h3-5,12H,1-2H2
InChIKeyAVHGTRILYJVCJS-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.17
Rot. Bonds1

About 3-bromo-4-cyclopropyl-5-fluorophenol

3-bromo-4-cyclopropyl-5-fluorophenol (PubChem CID 162422044) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 3-bromo-4-cyclopropyl-5-fluorophenol.

Molecular Properties

Compound Name3-bromo-4-cyclopropyl-5-fluorophenol
PubChem CID162422044
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name3-bromo-4-cyclopropyl-5-fluorophenol
SMILESOc1cc(F)c(C2CC2)c(Br)c1
InChIInChI=1S/C9H8BrFO/c10-7-3-6(12)4-8(11)9(7)5-1-2-5/h3-5,12H,1-2H2
InChIKeyAVHGTRILYJVCJS-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 3-bromo-4-cyclopropyl-5-fluorophenol?
The IUPAC name of 3-bromo-4-cyclopropyl-5-fluorophenol (CID 162422044) is 3-bromo-4-cyclopropyl-5-fluorophenol.
What is the SMILES notation for 3-bromo-4-cyclopropyl-5-fluorophenol?
The canonical SMILES for 3-bromo-4-cyclopropyl-5-fluorophenol is Oc1cc(F)c(C2CC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-cyclopropyl-5-fluorophenol?
The InChIKey is AVHGTRILYJVCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-7-3-6(12)4-8(11)9(7)5-1-2-5/h3-5,12H,1-2H2.
What are the key properties of 3-bromo-4-cyclopropyl-5-fluorophenol?
3-bromo-4-cyclopropyl-5-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 3-bromo-4-cyclopropyl-5-fluorophenol is sourced from PubChem (CID 162422044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).