3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline

C16H5F5N2 — CID 138547549

IUPAC3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline
SMILESFc1cnc2c(c1)c1cc(F)c(F)cc1c1cc(F)c(F)nc12
InChIInChI=1S/C16H5F5N2/c17-6-1-9-7-2-11(18)12(19)3-8(7)10-4-13(20)16(21)23-15(10)14(9)22-5-6/h1-5H
InChIKeyQOENNLTXSAQIFR-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.63
Rot. Bonds

About 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline

3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline (PubChem CID 138547549) has the molecular formula C16H5F5N2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline.

Molecular Properties

Compound Name3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline
PubChem CID138547549
Molecular FormulaC16H5F5N2
Molecular Weight320.22 g/mol
Exact Mass320.04
IUPAC Name3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline
SMILESFc1cnc2c(c1)c1cc(F)c(F)cc1c1cc(F)c(F)nc12
InChIInChI=1S/C16H5F5N2/c17-6-1-9-7-2-11(18)12(19)3-8(7)10-4-13(20)16(21)23-15(10)14(9)22-5-6/h1-5H
InChIKeyQOENNLTXSAQIFR-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline?
The IUPAC name of 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline (CID 138547549) is 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline.
What is the SMILES notation for 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline?
The canonical SMILES for 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline is Fc1cnc2c(c1)c1cc(F)c(F)cc1c1cc(F)c(F)nc12.
What is the InChIKey of 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline?
The InChIKey is QOENNLTXSAQIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H5F5N2/c17-6-1-9-7-2-11(18)12(19)3-8(7)10-4-13(20)16(21)23-15(10)14(9)22-5-6/h1-5H.
What are the key properties of 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline?
3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline has a molecular weight of 320.22 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,10,11-pentafluorobenzo[f][1,10]phenanthroline is sourced from PubChem (CID 138547549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).