2-(2-fluorophenyl)porphyrin

C26H15FN4 — CID 66835451

IUPAC2-(2-fluorophenyl)porphyrin
SMILESFc1ccccc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C26H15FN4/c27-25-4-2-1-3-23(25)24-14-22-13-20-8-7-18(29-20)11-16-5-6-17(28-16)12-19-9-10-21(30-19)15-26(24)31-22/h1-15H/b16-11-,17-12-,18-11-,19-12-,20-13-,21-15-,22-13-,26-15-
InChIKeyIEDZTQAOKMRPFA-MELAVUKXSA-N
MW402.43 g/mol
LogP5.25
Rot. Bonds1

About 2-(2-fluorophenyl)porphyrin

2-(2-fluorophenyl)porphyrin (PubChem CID 66835451) has the molecular formula C26H15FN4 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)porphyrin.

Molecular Properties

Compound Name2-(2-fluorophenyl)porphyrin
PubChem CID66835451
Molecular FormulaC26H15FN4
Molecular Weight402.43 g/mol
Exact Mass402.13
IUPAC Name2-(2-fluorophenyl)porphyrin
SMILESFc1ccccc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C26H15FN4/c27-25-4-2-1-3-23(25)24-14-22-13-20-8-7-18(29-20)11-16-5-6-17(28-16)12-19-9-10-21(30-19)15-26(24)31-22/h1-15H/b16-11-,17-12-,18-11-,19-12-,20-13-,21-15-,22-13-,26-15-
InChIKeyIEDZTQAOKMRPFA-MELAVUKXSA-N
XLogP5.25
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)porphyrin?
The IUPAC name of 2-(2-fluorophenyl)porphyrin (CID 66835451) is 2-(2-fluorophenyl)porphyrin.
What is the SMILES notation for 2-(2-fluorophenyl)porphyrin?
The canonical SMILES for 2-(2-fluorophenyl)porphyrin is Fc1ccccc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 2-(2-fluorophenyl)porphyrin?
The InChIKey is IEDZTQAOKMRPFA-MELAVUKXSA-N. The full InChI is InChI=1S/C26H15FN4/c27-25-4-2-1-3-23(25)24-14-22-13-20-8-7-18(29-20)11-16-5-6-17(28-16)12-19-9-10-21(30-19)15-26(24)31-22/h1-15H/b16-11-,17-12-,18-11-,19-12-,20-13-,21-15-,22-13-,26-15-.
What are the key properties of 2-(2-fluorophenyl)porphyrin?
2-(2-fluorophenyl)porphyrin has a molecular weight of 402.43 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)porphyrin is sourced from PubChem (CID 66835451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).