8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane

C16H20FNO2 — CID 10540493

IUPAC8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(/C=C/CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H20FNO2/c17-15-5-3-14(4-6-15)2-1-9-18-10-7-16(8-11-18)19-12-13-20-16/h1-6H,7-13H2/b2-1+
InChIKeyMVVAZJAWUCAYFP-OWOJBTEDSA-N
MW277.34 g/mol
LogP2.68
Rot. Bonds3

About 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 10540493) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID10540493
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(/C=C/CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H20FNO2/c17-15-5-3-14(4-6-15)2-1-9-18-10-7-16(8-11-18)19-12-13-20-16/h1-6H,7-13H2/b2-1+
InChIKeyMVVAZJAWUCAYFP-OWOJBTEDSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

AJ-190/13485012
CID 899309
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
4-Fluorobenzyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carbodithioate
CID 821674
4-(4-Fluorobenzyl)-1-(tetrahydro-3-furanylmethyl)piperidine
CID 56898104
8-[(2E)-3-(4-Fluorophenyl)prop-2-EN-1-YL]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74233789
8-(2,3-Difluoro-4-methylbenzyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 77094668
1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine
CID 97157963
8-[(2-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464317
8-[(3-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
8-[(4-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467323
8-{[4-(Trifluoromethyl)phenyl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 11959667

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 10540493) is 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(/C=C/CN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is MVVAZJAWUCAYFP-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-15-5-3-14(4-6-15)2-1-9-18-10-7-16(8-11-18)19-12-13-20-16/h1-6H,7-13H2/b2-1+.
What are the key properties of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 277.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 10540493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).