3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol

C15H11F3O — CID 134454097

IUPAC3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol
SMILESOc1c(-c2cccc(F)c2F)ccc(C2CC2)c1F
InChIInChI=1S/C15H11F3O/c16-12-3-1-2-10(13(12)17)11-7-6-9(8-4-5-8)14(18)15(11)19/h1-3,6-8,19H,4-5H2
InChIKeyMZJDUBMNHOIHDD-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.35
Rot. Bonds2

About 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol

3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol (PubChem CID 134454097) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol.

Molecular Properties

Compound Name3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol
PubChem CID134454097
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol
SMILESOc1c(-c2cccc(F)c2F)ccc(C2CC2)c1F
InChIInChI=1S/C15H11F3O/c16-12-3-1-2-10(13(12)17)11-7-6-9(8-4-5-8)14(18)15(11)19/h1-3,6-8,19H,4-5H2
InChIKeyMZJDUBMNHOIHDD-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol?
The IUPAC name of 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol (CID 134454097) is 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol.
What is the SMILES notation for 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol?
The canonical SMILES for 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol is Oc1c(-c2cccc(F)c2F)ccc(C2CC2)c1F.
What is the InChIKey of 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol?
The InChIKey is MZJDUBMNHOIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c16-12-3-1-2-10(13(12)17)11-7-6-9(8-4-5-8)14(18)15(11)19/h1-3,6-8,19H,4-5H2.
What are the key properties of 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol?
3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol has a molecular weight of 264.25 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol is sourced from PubChem (CID 134454097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).