2-fluoro-21,22-dihydroporphyrin

C20H13FN4 — CID 22311550

IUPAC2-fluoro-21,22-dihydroporphyrin
SMILESFc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3
InChIInChI=1S/C20H13FN4/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11,23,25H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyJXZUHZJAHRZEJK-ZFGIDIDVSA-N
MW328.35 g/mol
LogP4.79
Rot. Bonds

About 2-fluoro-21,22-dihydroporphyrin

2-fluoro-21,22-dihydroporphyrin (PubChem CID 22311550) has the molecular formula C20H13FN4 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-fluoro-21,22-dihydroporphyrin.

Molecular Properties

Compound Name2-fluoro-21,22-dihydroporphyrin
PubChem CID22311550
Molecular FormulaC20H13FN4
Molecular Weight328.35 g/mol
Exact Mass328.11
IUPAC Name2-fluoro-21,22-dihydroporphyrin
SMILESFc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3
InChIInChI=1S/C20H13FN4/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11,23,25H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyJXZUHZJAHRZEJK-ZFGIDIDVSA-N
XLogP4.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-21,22-dihydroporphyrin?
The IUPAC name of 2-fluoro-21,22-dihydroporphyrin (CID 22311550) is 2-fluoro-21,22-dihydroporphyrin.
What is the SMILES notation for 2-fluoro-21,22-dihydroporphyrin?
The canonical SMILES for 2-fluoro-21,22-dihydroporphyrin is Fc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.
What is the InChIKey of 2-fluoro-21,22-dihydroporphyrin?
The InChIKey is JXZUHZJAHRZEJK-ZFGIDIDVSA-N. The full InChI is InChI=1S/C20H13FN4/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11,23,25H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-.
What are the key properties of 2-fluoro-21,22-dihydroporphyrin?
2-fluoro-21,22-dihydroporphyrin has a molecular weight of 328.35 g/mol, XLogP of 4.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-21,22-dihydroporphyrin is sourced from PubChem (CID 22311550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).