2,3,5,7,8-pentafluoroporphyrin

C20H7F5N4 — CID 175505752

IUPAC2,3,5,7,8-pentafluoroporphyrin
SMILESFC1=C(F)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/F)C1=N2)C(F)=C5F)C=C4)C=C3
InChIInChI=1S/C20H7F5N4/c21-14-12-6-10-3-1-8(26-10)5-9-2-4-11(27-9)7-13-15(22)17(24)20(29-13)18(25)19(28-12)16(14)23/h1-7H/b8-5-,9-5-,10-6-,11-7-,12-6-,13-7-,19-18+,20-18+
InChIKeyQAJRTEPDHCMFRQ-DZJFDPCJSA-N
MW398.29 g/mol
LogP5.06
Rot. Bonds

About 2,3,5,7,8-pentafluoroporphyrin

2,3,5,7,8-pentafluoroporphyrin (PubChem CID 175505752) has the molecular formula C20H7F5N4 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2,3,5,7,8-pentafluoroporphyrin.

Molecular Properties

Compound Name2,3,5,7,8-pentafluoroporphyrin
PubChem CID175505752
Molecular FormulaC20H7F5N4
Molecular Weight398.29 g/mol
Exact Mass398.06
IUPAC Name2,3,5,7,8-pentafluoroporphyrin
SMILESFC1=C(F)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/F)C1=N2)C(F)=C5F)C=C4)C=C3
InChIInChI=1S/C20H7F5N4/c21-14-12-6-10-3-1-8(26-10)5-9-2-4-11(27-9)7-13-15(22)17(24)20(29-13)18(25)19(28-12)16(14)23/h1-7H/b8-5-,9-5-,10-6-,11-7-,12-6-,13-7-,19-18+,20-18+
InChIKeyQAJRTEPDHCMFRQ-DZJFDPCJSA-N
XLogP5.06
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 88305130
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CID 169731036
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CID 174514806
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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7,8-pentafluoroporphyrin?
The IUPAC name of 2,3,5,7,8-pentafluoroporphyrin (CID 175505752) is 2,3,5,7,8-pentafluoroporphyrin.
What is the SMILES notation for 2,3,5,7,8-pentafluoroporphyrin?
The canonical SMILES for 2,3,5,7,8-pentafluoroporphyrin is FC1=C(F)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/F)C1=N2)C(F)=C5F)C=C4)C=C3.
What is the InChIKey of 2,3,5,7,8-pentafluoroporphyrin?
The InChIKey is QAJRTEPDHCMFRQ-DZJFDPCJSA-N. The full InChI is InChI=1S/C20H7F5N4/c21-14-12-6-10-3-1-8(26-10)5-9-2-4-11(27-9)7-13-15(22)17(24)20(29-13)18(25)19(28-12)16(14)23/h1-7H/b8-5-,9-5-,10-6-,11-7-,12-6-,13-7-,19-18+,20-18+.
What are the key properties of 2,3,5,7,8-pentafluoroporphyrin?
2,3,5,7,8-pentafluoroporphyrin has a molecular weight of 398.29 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7,8-pentafluoroporphyrin is sourced from PubChem (CID 175505752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).