8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H16FNO2 — CID 20610156

IUPAC8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccccc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16FNO2/c14-11-3-1-2-4-12(11)15-7-5-13(6-8-15)16-9-10-17-13/h1-4H,5-10H2
InChIKeyHOMPIXQNBLWFMC-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.17
Rot. Bonds1

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

8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 20610156) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID20610156
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccccc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16FNO2/c14-11-3-1-2-4-12(11)15-7-5-13(6-8-15)16-9-10-17-13/h1-4H,5-10H2
InChIKeyHOMPIXQNBLWFMC-UHFFFAOYSA-N
XLogP2.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651
8-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3758590
8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 121456105
3-(difluoromethyl)-1-(2-fluorophenyl)pyrrolidin-3-amine
CID 115037625
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 117011781
8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4523890
8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 52680462
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2002727
8-(2-chloro-4-methylsulfanylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904232
8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 10610507
8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904933

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 20610156) is 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccccc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HOMPIXQNBLWFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-3-1-2-4-12(11)15-7-5-13(6-8-15)16-9-10-17-13/h1-4H,5-10H2.
What are the key properties of 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 237.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 20610156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).