2-(trifluoromethyl)porphyrin

C21H11F3N4 — CID 174514806

IUPAC2-(trifluoromethyl)porphyrin
SMILESFC(F)(F)C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C21H11F3N4/c22-21(23,24)19-10-18-9-16-4-3-14(26-16)7-12-1-2-13(25-12)8-15-5-6-17(27-15)11-20(19)28-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyRJLVPEVGFQVCFD-ZFGIDIDVSA-N
MW376.34 g/mol
LogP4.51
Rot. Bonds

About 2-(trifluoromethyl)porphyrin

2-(trifluoromethyl)porphyrin (PubChem CID 174514806) has the molecular formula C21H11F3N4 and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-(trifluoromethyl)porphyrin.

Molecular Properties

Compound Name2-(trifluoromethyl)porphyrin
PubChem CID174514806
Molecular FormulaC21H11F3N4
Molecular Weight376.34 g/mol
Exact Mass376.09
IUPAC Name2-(trifluoromethyl)porphyrin
SMILESFC(F)(F)C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C21H11F3N4/c22-21(23,24)19-10-18-9-16-4-3-14(26-16)7-12-1-2-13(25-12)8-15-5-6-17(27-15)11-20(19)28-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyRJLVPEVGFQVCFD-ZFGIDIDVSA-N
XLogP4.51
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)porphyrin?
The IUPAC name of 2-(trifluoromethyl)porphyrin (CID 174514806) is 2-(trifluoromethyl)porphyrin.
What is the SMILES notation for 2-(trifluoromethyl)porphyrin?
The canonical SMILES for 2-(trifluoromethyl)porphyrin is FC(F)(F)C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 2-(trifluoromethyl)porphyrin?
The InChIKey is RJLVPEVGFQVCFD-ZFGIDIDVSA-N. The full InChI is InChI=1S/C21H11F3N4/c22-21(23,24)19-10-18-9-16-4-3-14(26-16)7-12-1-2-13(25-12)8-15-5-6-17(27-15)11-20(19)28-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-.
What are the key properties of 2-(trifluoromethyl)porphyrin?
2-(trifluoromethyl)porphyrin has a molecular weight of 376.34 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)porphyrin is sourced from PubChem (CID 174514806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).