CID 70301654

C20H20FNO3 — CID 70301654

IUPAC—
SMILESFc1ccc(C2NCCO[C@@]23C[C@]2(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/t18?,19-,20-/m1/s1
InChIKeyXHXGEPZCPAFGQM-FXJNCMGBSA-N
MW341.38 g/mol
LogP3.03
Rot. Bonds1

About CID 70301654

CID 70301654 (PubChem CID 70301654) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol.

Molecular Properties

Compound NameCID 70301654
PubChem CID70301654
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name—
SMILESFc1ccc(C2NCCO[C@@]23C[C@]2(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/t18?,19-,20-/m1/s1
InChIKeyXHXGEPZCPAFGQM-FXJNCMGBSA-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 70301654?
The IUPAC name of CID 70301654 (CID 70301654) is not available.
What is the SMILES notation for CID 70301654?
The canonical SMILES for CID 70301654 is Fc1ccc(C2NCCO[C@@]23C[C@]2(CO3)OCc3ccccc32)cc1.
What is the InChIKey of CID 70301654?
The InChIKey is XHXGEPZCPAFGQM-FXJNCMGBSA-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/t18?,19-,20-/m1/s1.
What are the key properties of CID 70301654?
CID 70301654 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 70301654 is sourced from PubChem (CID 70301654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).