7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]

C15H18FNO4 — CID 139599986

IUPAC7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]
SMILESFc1ccc(N2COOC3(CC4CCC3C4)OOC2)cc1
InChIInChI=1S/C15H18FNO4/c16-13-3-5-14(6-4-13)17-9-18-20-15(21-19-10-17)8-11-1-2-12(15)7-11/h3-6,11-12H,1-2,7-10H2
InChIKeyXXGAIQCLSOOGAA-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.97
Rot. Bonds1

About 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]

7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] (PubChem CID 139599986) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]
PubChem CID139599986
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]
SMILESFc1ccc(N2COOC3(CC4CCC3C4)OOC2)cc1
InChIInChI=1S/C15H18FNO4/c16-13-3-5-14(6-4-13)17-9-18-20-15(21-19-10-17)8-11-1-2-12(15)7-11/h3-6,11-12H,1-2,7-10H2
InChIKeyXXGAIQCLSOOGAA-UHFFFAOYSA-N
XLogP2.97
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] (CID 139599986) is 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] is Fc1ccc(N2COOC3(CC4CCC3C4)OOC2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]?
The InChIKey is XXGAIQCLSOOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-13-3-5-14(6-4-13)17-9-18-20-15(21-19-10-17)8-11-1-2-12(15)7-11/h3-6,11-12H,1-2,7-10H2.
What are the key properties of 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane]?
7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] has a molecular weight of 295.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 139599986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).