2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol

C14H2F8O2 — CID 22178338

IUPAC2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol
SMILESOc1c(F)c(F)c(F)c2c1c(F)c(F)c1c(F)c(F)c(F)c(O)c12
InChIInChI=1S/C14H2F8O2/c15-5-1-2-3(7(17)10(20)11(21)13(2)23)6(16)8(18)4(1)14(24)12(22)9(5)19/h23-24H
InChIKeyCRNHRNWSDGXWNJ-UHFFFAOYSA-N
MW354.15 g/mol
LogP4.52
Rot. Bonds

About 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol

2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol (PubChem CID 22178338) has the molecular formula C14H2F8O2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol.

Molecular Properties

Compound Name2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol
PubChem CID22178338
Molecular FormulaC14H2F8O2
Molecular Weight354.15 g/mol
Exact Mass353.99
IUPAC Name2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol
SMILESOc1c(F)c(F)c(F)c2c1c(F)c(F)c1c(F)c(F)c(F)c(O)c12
InChIInChI=1S/C14H2F8O2/c15-5-1-2-3(7(17)10(20)11(21)13(2)23)6(16)8(18)4(1)14(24)12(22)9(5)19/h23-24H
InChIKeyCRNHRNWSDGXWNJ-UHFFFAOYSA-N
XLogP4.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol 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 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol?
The IUPAC name of 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol (CID 22178338) is 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol.
What is the SMILES notation for 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol?
The canonical SMILES for 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol is Oc1c(F)c(F)c(F)c2c1c(F)c(F)c1c(F)c(F)c(F)c(O)c12.
What is the InChIKey of 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol?
The InChIKey is CRNHRNWSDGXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F8O2/c15-5-1-2-3(7(17)10(20)11(21)13(2)23)6(16)8(18)4(1)14(24)12(22)9(5)19/h23-24H.
What are the key properties of 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol?
2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol has a molecular weight of 354.15 g/mol, XLogP of 4.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol is sourced from PubChem (CID 22178338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).