5,10,15-trifluoro-21H-corrin

C19H9F3N4 — CID 68772900

IUPAC5,10,15-trifluoro-21H-corrin
SMILESF/C1=C2\C=CC(=N2)/C(F)=C2/C=CC(=N2)/C(F)=c2/cc/c([nH]2)=C2\C=CC1=N2
InChIInChI=1S/C19H9F3N4/c20-17-11-3-1-9(23-11)10-2-4-12(24-10)18(21)14-6-8-16(26-14)19(22)15-7-5-13(17)25-15/h1-8,23H/b10-9-,17-11+,17-13+,18-12+,18-14+,19-15+,19-16+
InChIKeyAXHYRAMSWXHFKZ-IXCVTHGBSA-N
MW350.30 g/mol
LogP2.61
Rot. Bonds

About 5,10,15-trifluoro-21H-corrin

5,10,15-trifluoro-21H-corrin (PubChem CID 68772900) has the molecular formula C19H9F3N4 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5,10,15-trifluoro-21H-corrin.

Molecular Properties

Compound Name5,10,15-trifluoro-21H-corrin
PubChem CID68772900
Molecular FormulaC19H9F3N4
Molecular Weight350.30 g/mol
Exact Mass350.08
IUPAC Name5,10,15-trifluoro-21H-corrin
SMILESF/C1=C2\C=CC(=N2)/C(F)=C2/C=CC(=N2)/C(F)=c2/cc/c([nH]2)=C2\C=CC1=N2
InChIInChI=1S/C19H9F3N4/c20-17-11-3-1-9(23-11)10-2-4-12(24-10)18(21)14-6-8-16(26-14)19(22)15-7-5-13(17)25-15/h1-8,23H/b10-9-,17-11+,17-13+,18-12+,18-14+,19-15+,19-16+
InChIKeyAXHYRAMSWXHFKZ-IXCVTHGBSA-N
XLogP2.61
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,10,15-trifluoro-21H-corrin?
The IUPAC name of 5,10,15-trifluoro-21H-corrin (CID 68772900) is 5,10,15-trifluoro-21H-corrin.
What is the SMILES notation for 5,10,15-trifluoro-21H-corrin?
The canonical SMILES for 5,10,15-trifluoro-21H-corrin is F/C1=C2\C=CC(=N2)/C(F)=C2/C=CC(=N2)/C(F)=c2/cc/c([nH]2)=C2\C=CC1=N2.
What is the InChIKey of 5,10,15-trifluoro-21H-corrin?
The InChIKey is AXHYRAMSWXHFKZ-IXCVTHGBSA-N. The full InChI is InChI=1S/C19H9F3N4/c20-17-11-3-1-9(23-11)10-2-4-12(24-10)18(21)14-6-8-16(26-14)19(22)15-7-5-13(17)25-15/h1-8,23H/b10-9-,17-11+,17-13+,18-12+,18-14+,19-15+,19-16+.
What are the key properties of 5,10,15-trifluoro-21H-corrin?
5,10,15-trifluoro-21H-corrin has a molecular weight of 350.30 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-trifluoro-21H-corrin is sourced from PubChem (CID 68772900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).