2-(2,6-difluorophenyl)porphyrin

C26H14F2N4 — CID 175110607

IUPAC2-(2,6-difluorophenyl)porphyrin
SMILESFc1cccc(F)c1C1=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/C26H14F2N4/c27-23-2-1-3-24(28)26(23)22-13-21-12-19-7-6-17(30-19)10-15-4-5-16(29-15)11-18-8-9-20(31-18)14-25(22)32-21/h1-14H/b15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,25-14-
InChIKeyHZIYQLQSAIOWKF-CWVMIRRISA-N
MW420.42 g/mol
LogP5.38
Rot. Bonds1

About 2-(2,6-difluorophenyl)porphyrin

2-(2,6-difluorophenyl)porphyrin (PubChem CID 175110607) has the molecular formula C26H14F2N4 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)porphyrin.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)porphyrin
PubChem CID175110607
Molecular FormulaC26H14F2N4
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name2-(2,6-difluorophenyl)porphyrin
SMILESFc1cccc(F)c1C1=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/C26H14F2N4/c27-23-2-1-3-24(28)26(23)22-13-21-12-19-7-6-17(30-19)10-15-4-5-16(29-15)11-18-8-9-20(31-18)14-25(22)32-21/h1-14H/b15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,25-14-
InChIKeyHZIYQLQSAIOWKF-CWVMIRRISA-N
XLogP5.38
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)porphyrin?
The IUPAC name of 2-(2,6-difluorophenyl)porphyrin (CID 175110607) is 2-(2,6-difluorophenyl)porphyrin.
What is the SMILES notation for 2-(2,6-difluorophenyl)porphyrin?
The canonical SMILES for 2-(2,6-difluorophenyl)porphyrin is Fc1cccc(F)c1C1=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-(2,6-difluorophenyl)porphyrin?
The InChIKey is HZIYQLQSAIOWKF-CWVMIRRISA-N. The full InChI is InChI=1S/C26H14F2N4/c27-23-2-1-3-24(28)26(23)22-13-21-12-19-7-6-17(30-19)10-15-4-5-16(29-15)11-18-8-9-20(31-18)14-25(22)32-21/h1-14H/b15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,25-14-.
What are the key properties of 2-(2,6-difluorophenyl)porphyrin?
2-(2,6-difluorophenyl)porphyrin has a molecular weight of 420.42 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)porphyrin is sourced from PubChem (CID 175110607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).