CID 54470364

C20H20FNO3 — CID 54470364

IUPAC—
SMILESFc1ccc(C2NCCOC23CC2(CO3)OCc3ccccc32)cc1
InChIInChI=1S/C20H20FNO3/c21-16-7-5-14(6-8-16)18-20(23-10-9-22-18)12-19(13-25-20)17-4-2-1-3-15(17)11-24-19/h1-8,18,22H,9-13H2
InChIKeyXHXGEPZCPAFGQM-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.03
Rot. Bonds1

About CID 54470364

CID 54470364 (PubChem CID 54470364) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol.

Molecular Properties

Compound NameCID 54470364
PubChem CID54470364
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name—
SMILESFc1ccc(C2NCCOC23CC2(CO3)OCc3ccccc32)cc1
InChIInChI=1S/C20H20FNO3/c21-16-7-5-14(6-8-16)18-20(23-10-9-22-18)12-19(13-25-20)17-4-2-1-3-15(17)11-24-19/h1-8,18,22H,9-13H2
InChIKeyXHXGEPZCPAFGQM-UHFFFAOYSA-N
XLogP3.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 54470364?
The IUPAC name of CID 54470364 (CID 54470364) is not available.
What is the SMILES notation for CID 54470364?
The canonical SMILES for CID 54470364 is Fc1ccc(C2NCCOC23CC2(CO3)OCc3ccccc32)cc1.
What is the InChIKey of CID 54470364?
The InChIKey is XHXGEPZCPAFGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-16-7-5-14(6-8-16)18-20(23-10-9-22-18)12-19(13-25-20)17-4-2-1-3-15(17)11-24-19/h1-8,18,22H,9-13H2.
What are the key properties of CID 54470364?
CID 54470364 has a molecular weight of 341.38 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54470364 is sourced from PubChem (CID 54470364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).