2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin

C32H8F28N4 — CID 87857516

IUPAC2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/C(F)(F)C(F)(F)C(F)(F)F)C1=N2)C(C(F)(F)C(F)(F)C(F)(F)F)=C5C(F)(F)C(F)(F)C(F)(F)F)C=C4)C=C3
InChIInChI=1S/C32H8F28N4/c33-21(34,25(41,42)29(49,50)51)14-7-13-6-11-2-1-9(61-11)5-10-3-4-12(62-10)8-15-16(22(35,36)26(43,44)30(52,53)54)17(23(37,38)27(45,46)31(55,56)57)20(64-15)18(19(14)63-13)24(39,40)28(47,48)32(58,59)60/h1-8H/b9-5-,10-5-,11-6-,12-8-,13-6-,15-8-,19-18+,20-18+
InChIKeyLDSAPHRXPGLAGV-KARQOMOUSA-N
MW980.39 g/mol
LogP12.39
Rot. Bonds8

About 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin

2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin (PubChem CID 87857516) has the molecular formula C32H8F28N4 and a molecular weight of 980.39 g/mol. Its IUPAC name is 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin.

Molecular Properties

Compound Name2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin
PubChem CID87857516
Molecular FormulaC32H8F28N4
Molecular Weight980.39 g/mol
Exact Mass980.03
IUPAC Name2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/C(F)(F)C(F)(F)C(F)(F)F)C1=N2)C(C(F)(F)C(F)(F)C(F)(F)F)=C5C(F)(F)C(F)(F)C(F)(F)F)C=C4)C=C3
InChIInChI=1S/C32H8F28N4/c33-21(34,25(41,42)29(49,50)51)14-7-13-6-11-2-1-9(61-11)5-10-3-4-12(62-10)8-15-16(22(35,36)26(43,44)30(52,53)54)17(23(37,38)27(45,46)31(55,56)57)20(64-15)18(19(14)63-13)24(39,40)28(47,48)32(58,59)60/h1-8H/b9-5-,10-5-,11-6-,12-8-,13-6-,15-8-,19-18+,20-18+
InChIKeyLDSAPHRXPGLAGV-KARQOMOUSA-N
XLogP12.39
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.39
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin?
The IUPAC name of 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin (CID 87857516) is 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin.
What is the SMILES notation for 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin?
The canonical SMILES for 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin is FC(F)(F)C(F)(F)C(F)(F)C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/C(F)(F)C(F)(F)C(F)(F)F)C1=N2)C(C(F)(F)C(F)(F)C(F)(F)F)=C5C(F)(F)C(F)(F)C(F)(F)F)C=C4)C=C3.
What is the InChIKey of 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin?
The InChIKey is LDSAPHRXPGLAGV-KARQOMOUSA-N. The full InChI is InChI=1S/C32H8F28N4/c33-21(34,25(41,42)29(49,50)51)14-7-13-6-11-2-1-9(61-11)5-10-3-4-12(62-10)8-15-16(22(35,36)26(43,44)30(52,53)54)17(23(37,38)27(45,46)31(55,56)57)20(64-15)18(19(14)63-13)24(39,40)28(47,48)32(58,59)60/h1-8H/b9-5-,10-5-,11-6-,12-8-,13-6-,15-8-,19-18+,20-18+.
What are the key properties of 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin?
2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin has a molecular weight of 980.39 g/mol, XLogP of 12.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)porphyrin is sourced from PubChem (CID 87857516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).