3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine

C26H13F4N5 — CID 130362225

IUPAC3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine
SMILESNC1=C(c2cc(F)c(F)c(F)c2F)C2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C26H13F4N5/c27-19-11-18(23(28)25(30)24(19)29)22-20-9-16-5-3-14(33-16)7-12-1-2-13(32-12)8-15-4-6-17(34-15)10-21(35-20)26(22)31/h1-11H,31H2/b12-7-,13-8-,14-7-,15-8-,16-9-,17-10-,20-9-,21-10-
InChIKeyLFFZOADCIKIXEF-PTFVWXJTSA-N
MW471.42 g/mol
LogP4.95
Rot. Bonds1

About 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine

3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine (PubChem CID 130362225) has the molecular formula C26H13F4N5 and a molecular weight of 471.42 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine.

Molecular Properties

Compound Name3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine
PubChem CID130362225
Molecular FormulaC26H13F4N5
Molecular Weight471.42 g/mol
Exact Mass471.11
IUPAC Name3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine
SMILESNC1=C(c2cc(F)c(F)c(F)c2F)C2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C26H13F4N5/c27-19-11-18(23(28)25(30)24(19)29)22-20-9-16-5-3-14(33-16)7-12-1-2-13(32-12)8-15-4-6-17(34-15)10-21(35-20)26(22)31/h1-11H,31H2/b12-7-,13-8-,14-7-,15-8-,16-9-,17-10-,20-9-,21-10-
InChIKeyLFFZOADCIKIXEF-PTFVWXJTSA-N
XLogP4.95
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-Fluorophenyl)porphyrin
CID 66835451
3,5,7,8,10-Pentafluoro-2-phenylporphyrin
CID 69927814
3-Chloro-2-fluoro-5-phenylporphyrin
CID 70656300
2-(2,3,4,5,6-Pentafluorophenyl)porphyrin
CID 87223589
10-(2,3,4,5,6-pentafluorophenyl)-5,15-bis(trifluoromethyl)-21H-corrin
CID 87270445
5,10,15-Tris(2,3,4,5,6-pentafluorophenyl)porphyrin
CID 87319119
5,10,15-tris(2,6-difluorophenyl)-21H-corrin
CID 87498317
15-(2,3,4,5,6-pentafluorophenyl)-22H-corrin
CID 87502791
2-(2,3,4,5-Tetrafluorophenyl)porphyrin
CID 87661293
5,15-Bis(2,3,4,5,6-pentafluorophenyl)-10,20-bis(trifluoromethyl)porphyrin
CID 88305093
5,15-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)porphyrin
CID 88376018
3-Chloro-5-fluoro-2-phenylporphyrin
CID 122473334

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine?
The IUPAC name of 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine (CID 130362225) is 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine.
What is the SMILES notation for 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine?
The canonical SMILES for 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine is NC1=C(c2cc(F)c(F)c(F)c2F)C2=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 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine?
The InChIKey is LFFZOADCIKIXEF-PTFVWXJTSA-N. The full InChI is InChI=1S/C26H13F4N5/c27-19-11-18(23(28)25(30)24(19)29)22-20-9-16-5-3-14(33-16)7-12-1-2-13(32-12)8-15-4-6-17(34-15)10-21(35-20)26(22)31/h1-11H,31H2/b12-7-,13-8-,14-7-,15-8-,16-9-,17-10-,20-9-,21-10-.
What are the key properties of 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine?
3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine has a molecular weight of 471.42 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrafluorophenyl)porphyrin-2-amine is sourced from PubChem (CID 130362225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).