2-fluoroporphyrin

C20H11FN4 — CID 66779415

IUPAC2-fluoroporphyrin
SMILESFC1=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/C20H11FN4/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/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyMVRGWTURWJTQDU-ZFGIDIDVSA-N
MW326.33 g/mol
LogP3.88
Rot. Bonds

About 2-fluoroporphyrin

2-fluoroporphyrin (PubChem CID 66779415) has the molecular formula C20H11FN4 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-fluoroporphyrin.

Molecular Properties

Compound Name2-fluoroporphyrin
PubChem CID66779415
Molecular FormulaC20H11FN4
Molecular Weight326.33 g/mol
Exact Mass326.10
IUPAC Name2-fluoroporphyrin
SMILESFC1=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/C20H11FN4/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/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyMVRGWTURWJTQDU-ZFGIDIDVSA-N
XLogP3.88
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroporphyrin?
The IUPAC name of 2-fluoroporphyrin (CID 66779415) is 2-fluoroporphyrin.
What is the SMILES notation for 2-fluoroporphyrin?
The canonical SMILES for 2-fluoroporphyrin is FC1=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-fluoroporphyrin?
The InChIKey is MVRGWTURWJTQDU-ZFGIDIDVSA-N. The full InChI is InChI=1S/C20H11FN4/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/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-.
What are the key properties of 2-fluoroporphyrin?
2-fluoroporphyrin has a molecular weight of 326.33 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroporphyrin is sourced from PubChem (CID 66779415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).