11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane

C15H20FNO4 — CID 138455276

IUPAC11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
SMILESFc1ccc(N2COOC3(CCCCCC3)OOC2)cc1
InChIInChI=1S/C15H20FNO4/c16-13-5-7-14(8-6-13)17-11-18-20-15(21-19-12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12H2
InChIKeyHPTZMBBECHNMKJ-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.51
Rot. Bonds1

About 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane

11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane (PubChem CID 138455276) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane.

Molecular Properties

Compound Name11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
PubChem CID138455276
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
SMILESFc1ccc(N2COOC3(CCCCCC3)OOC2)cc1
InChIInChI=1S/C15H20FNO4/c16-13-5-7-14(8-6-13)17-11-18-20-15(21-19-12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12H2
InChIKeyHPTZMBBECHNMKJ-UHFFFAOYSA-N
XLogP3.51
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-(4-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455265
9-(4-Fluorophenyl)-6,7,11,12-tetraoxa-9-azaspiro [4.7]dodecane
CID 138455257
9-(3-Fluorophenyl)-6,7,11,12-tetraoxa-9-azaspiro[4.7]dodecane
CID 138455259
10-(3-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455267
4-(4-Fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane
CID 139204678
(r)-2-Methyl-5-(prop-1-en-2-yl)-10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene
CID 139600053
7-(4-Fluorophenyl)-3-hexyl-3-methyl-1,2,4,5,7-tetraoxazocane
CID 167530484
11-(4-Chlorophenyl)-8,9,13,14-tetraoxa-11azaspiro[6.7]tetradecane
CID 138455277
11-(3-Chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
CID 138455278
10-(2-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767126
10-Phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767124

Frequently Asked Questions

What is the IUPAC name of 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane?
The IUPAC name of 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane (CID 138455276) is 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane.
What is the SMILES notation for 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane?
The canonical SMILES for 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane is Fc1ccc(N2COOC3(CCCCCC3)OOC2)cc1.
What is the InChIKey of 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane?
The InChIKey is HPTZMBBECHNMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c16-13-5-7-14(8-6-13)17-11-18-20-15(21-19-12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12H2.
What are the key properties of 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane?
11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane has a molecular weight of 297.33 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane is sourced from PubChem (CID 138455276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).