5-fluoro-21,23-dihydro-1H-porphyrin-2-one

C20H13FN4O — CID 151577569

IUPAC5-fluoro-21,23-dihydro-1H-porphyrin-2-one
SMILESO=C1C=C2NC1C=C1C=CC(=N1)C=c1ccc([nH]1)=CC1=NC(=C2F)C=C1
InChIInChI=1S/C20H13FN4O/c21-20-16-6-5-14(24-16)8-13-2-1-11(22-13)7-12-3-4-15(23-12)9-17-19(26)10-18(20)25-17/h1-10,17,22,25H
InChIKeyQFTXXFUVYXFOTP-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.10
Rot. Bonds

About 5-fluoro-21,23-dihydro-1H-porphyrin-2-one

5-fluoro-21,23-dihydro-1H-porphyrin-2-one (PubChem CID 151577569) has the molecular formula C20H13FN4O and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-fluoro-21,23-dihydro-1H-porphyrin-2-one.

Molecular Properties

Compound Name5-fluoro-21,23-dihydro-1H-porphyrin-2-one
PubChem CID151577569
Molecular FormulaC20H13FN4O
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name5-fluoro-21,23-dihydro-1H-porphyrin-2-one
SMILESO=C1C=C2NC1C=C1C=CC(=N1)C=c1ccc([nH]1)=CC1=NC(=C2F)C=C1
InChIInChI=1S/C20H13FN4O/c21-20-16-6-5-14(24-16)8-13-2-1-11(22-13)7-12-3-4-15(23-12)9-17-19(26)10-18(20)25-17/h1-10,17,22,25H
InChIKeyQFTXXFUVYXFOTP-UHFFFAOYSA-N
XLogP1.10
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-21,23-dihydro-1H-porphyrin-2-one?
The IUPAC name of 5-fluoro-21,23-dihydro-1H-porphyrin-2-one (CID 151577569) is 5-fluoro-21,23-dihydro-1H-porphyrin-2-one.
What is the SMILES notation for 5-fluoro-21,23-dihydro-1H-porphyrin-2-one?
The canonical SMILES for 5-fluoro-21,23-dihydro-1H-porphyrin-2-one is O=C1C=C2NC1C=C1C=CC(=N1)C=c1ccc([nH]1)=CC1=NC(=C2F)C=C1.
What is the InChIKey of 5-fluoro-21,23-dihydro-1H-porphyrin-2-one?
The InChIKey is QFTXXFUVYXFOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O/c21-20-16-6-5-14(24-16)8-13-2-1-11(22-13)7-12-3-4-15(23-12)9-17-19(26)10-18(20)25-17/h1-10,17,22,25H.
What are the key properties of 5-fluoro-21,23-dihydro-1H-porphyrin-2-one?
5-fluoro-21,23-dihydro-1H-porphyrin-2-one has a molecular weight of 344.35 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-21,23-dihydro-1H-porphyrin-2-one is sourced from PubChem (CID 151577569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).