[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol

C11H5F5O2 — CID 115564832

IUPAC[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol
SMILESOCc1ccc(-c2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C11H5F5O2/c12-7-6(5-2-1-4(3-17)18-5)8(13)10(15)11(16)9(7)14/h1-2,17H,3H2
InChIKeyQWLVUCHUXRHMJW-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.13
Rot. Bonds2

About [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol

[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol (PubChem CID 115564832) has the molecular formula C11H5F5O2 and a molecular weight of 264.15 g/mol. Its IUPAC name is [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol
PubChem CID115564832
Molecular FormulaC11H5F5O2
Molecular Weight264.15 g/mol
Exact Mass264.02
IUPAC Name[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol
SMILESOCc1ccc(-c2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C11H5F5O2/c12-7-6(5-2-1-4(3-17)18-5)8(13)10(15)11(16)9(7)14/h1-2,17H,3H2
InChIKeyQWLVUCHUXRHMJW-UHFFFAOYSA-N
XLogP3.13
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol 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 [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol?
The IUPAC name of [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol (CID 115564832) is [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol?
The canonical SMILES for [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol is OCc1ccc(-c2c(F)c(F)c(F)c(F)c2F)o1.
What is the InChIKey of [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol?
The InChIKey is QWLVUCHUXRHMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5O2/c12-7-6(5-2-1-4(3-17)18-5)8(13)10(15)11(16)9(7)14/h1-2,17H,3H2.
What are the key properties of [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol?
[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol has a molecular weight of 264.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methanol is sourced from PubChem (CID 115564832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).