2,3-difluoroporphyrin

C20H10F2N4 — CID 66823497

IUPAC2,3-difluoroporphyrin
SMILESFC1=C(F)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C20H10F2N4/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-
InChIKeyWLYBJIJGECTXFA-ITJRXXQTSA-N
MW344.32 g/mol
LogP4.17
Rot. Bonds

About 2,3-difluoroporphyrin

2,3-difluoroporphyrin (PubChem CID 66823497) has the molecular formula C20H10F2N4 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2,3-difluoroporphyrin.

Molecular Properties

Compound Name2,3-difluoroporphyrin
PubChem CID66823497
Molecular FormulaC20H10F2N4
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Name2,3-difluoroporphyrin
SMILESFC1=C(F)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C20H10F2N4/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-
InChIKeyWLYBJIJGECTXFA-ITJRXXQTSA-N
XLogP4.17
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoroporphyrin?
The IUPAC name of 2,3-difluoroporphyrin (CID 66823497) is 2,3-difluoroporphyrin.
What is the SMILES notation for 2,3-difluoroporphyrin?
The canonical SMILES for 2,3-difluoroporphyrin is FC1=C(F)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.
What is the InChIKey of 2,3-difluoroporphyrin?
The InChIKey is WLYBJIJGECTXFA-ITJRXXQTSA-N. The full InChI is InChI=1S/C20H10F2N4/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-.
What are the key properties of 2,3-difluoroporphyrin?
2,3-difluoroporphyrin has a molecular weight of 344.32 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoroporphyrin is sourced from PubChem (CID 66823497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).