4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane

C16H22FNO4 — CID 139204678

IUPAC4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane
SMILESFc1ccc(N2COOC3(CCCCCCC3)OOC2)cc1
InChIInChI=1S/C16H22FNO4/c17-14-6-8-15(9-7-14)18-12-19-21-16(22-20-13-18)10-4-2-1-3-5-11-16/h6-9H,1-5,10-13H2
InChIKeyUSIDMCAHBCHIHP-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.90
Rot. Bonds1

About 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane

4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane (PubChem CID 139204678) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane
PubChem CID139204678
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane
SMILESFc1ccc(N2COOC3(CCCCCCC3)OOC2)cc1
InChIInChI=1S/C16H22FNO4/c17-14-6-8-15(9-7-14)18-12-19-21-16(22-20-13-18)10-4-2-1-3-5-11-16/h6-9H,1-5,10-13H2
InChIKeyUSIDMCAHBCHIHP-UHFFFAOYSA-N
XLogP3.90
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.90
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
11-(4-Fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
CID 138455276
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
(1s,4r)-10-(4-Fluorophenyl)-4-methyl-1-(propan-2-yl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 139600052
(2S,5R)-10-(4-fluorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 139204674
(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
(1s,4r)-10-(3-Fluorophenyl)-4-methyl-1-(propan-2-yl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 139600054
7-(4-Fluorophenyl)-3-hexyl-3-methyl-1,2,4,5,7-tetraoxazocane
CID 167530484
10-(2-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767126
(2R,5S)-10-(2-fluorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 154699255

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane?
The IUPAC name of 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane (CID 139204678) is 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane.
What is the SMILES notation for 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane?
The canonical SMILES for 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane is Fc1ccc(N2COOC3(CCCCCCC3)OOC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane?
The InChIKey is USIDMCAHBCHIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4/c17-14-6-8-15(9-7-14)18-12-19-21-16(22-20-13-18)10-4-2-1-3-5-11-16/h6-9H,1-5,10-13H2.
What are the key properties of 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane?
4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane has a molecular weight of 311.35 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane is sourced from PubChem (CID 139204678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).