10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

C14H18FNO4 — CID 138455265

IUPAC10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESFc1ccc(N2COOC3(CCCCC3)OOC2)cc1
InChIInChI=1S/C14H18FNO4/c15-12-4-6-13(7-5-12)16-10-17-19-14(20-18-11-16)8-2-1-3-9-14/h4-7H,1-3,8-11H2
InChIKeyMQPHHJFUZZADEQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.12
Rot. Bonds1

About 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (PubChem CID 138455265) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.

Molecular Properties

Compound Name10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
PubChem CID138455265
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESFc1ccc(N2COOC3(CCCCC3)OOC2)cc1
InChIInChI=1S/C14H18FNO4/c15-12-4-6-13(7-5-12)16-10-17-19-14(20-18-11-16)8-2-1-3-9-14/h4-7H,1-3,8-11H2
InChIKeyMQPHHJFUZZADEQ-UHFFFAOYSA-N
XLogP3.12
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.12
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

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
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
(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
11-(2-Fluorophenyl)-2,3,5,6-tetraoxa-11-azaspiro[bicyclo[5.3.1]undecane-4,1'-cyclohexane]
CID 168338889
10-(4-Chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455266

Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The IUPAC name of 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (CID 138455265) is 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.
What is the SMILES notation for 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The canonical SMILES for 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is Fc1ccc(N2COOC3(CCCCC3)OOC2)cc1.
What is the InChIKey of 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The InChIKey is MQPHHJFUZZADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c15-12-4-6-13(7-5-12)16-10-17-19-14(20-18-11-16)8-2-1-3-9-14/h4-7H,1-3,8-11H2.
What are the key properties of 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane has a molecular weight of 283.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is sourced from PubChem (CID 138455265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).