2-(2,4-difluorophenyl)porphyrin

C26H14F2N4 — CID 175556582

IUPAC2-(2,4-difluorophenyl)porphyrin
SMILESFc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(F)c1
InChIInChI=1S/C26H14F2N4/c27-15-1-8-23(25(28)9-15)24-13-22-12-20-5-4-18(30-20)10-16-2-3-17(29-16)11-19-6-7-21(31-19)14-26(24)32-22/h1-14H/b16-10-,17-11-,18-10-,19-11-,20-12-,21-14-,22-12-,26-14-
InChIKeyCLAFUTURSZPPLH-NTZZLWEASA-N
MW420.42 g/mol
LogP5.38
Rot. Bonds1

About 2-(2,4-difluorophenyl)porphyrin

2-(2,4-difluorophenyl)porphyrin (PubChem CID 175556582) has the molecular formula C26H14F2N4 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)porphyrin.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)porphyrin
PubChem CID175556582
Molecular FormulaC26H14F2N4
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name2-(2,4-difluorophenyl)porphyrin
SMILESFc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(F)c1
InChIInChI=1S/C26H14F2N4/c27-15-1-8-23(25(28)9-15)24-13-22-12-20-5-4-18(30-20)10-16-2-3-17(29-16)11-19-6-7-21(31-19)14-26(24)32-22/h1-14H/b16-10-,17-11-,18-10-,19-11-,20-12-,21-14-,22-12-,26-14-
InChIKeyCLAFUTURSZPPLH-NTZZLWEASA-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-(2,4-difluorophenyl)porphyrin?
The IUPAC name of 2-(2,4-difluorophenyl)porphyrin (CID 175556582) is 2-(2,4-difluorophenyl)porphyrin.
What is the SMILES notation for 2-(2,4-difluorophenyl)porphyrin?
The canonical SMILES for 2-(2,4-difluorophenyl)porphyrin is Fc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)porphyrin?
The InChIKey is CLAFUTURSZPPLH-NTZZLWEASA-N. The full InChI is InChI=1S/C26H14F2N4/c27-15-1-8-23(25(28)9-15)24-13-22-12-20-5-4-18(30-20)10-16-2-3-17(29-16)11-19-6-7-21(31-19)14-26(24)32-22/h1-14H/b16-10-,17-11-,18-10-,19-11-,20-12-,21-14-,22-12-,26-14-.
What are the key properties of 2-(2,4-difluorophenyl)porphyrin?
2-(2,4-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-(2,4-difluorophenyl)porphyrin is sourced from PubChem (CID 175556582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).