8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane

C14H16FNO5 — CID 58421665

IUPAC8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
SMILESO=[N+]([O-])c1ccc(F)cc1OC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16FNO5/c15-10-1-2-12(16(17)18)13(9-10)21-11-3-5-14(6-4-11)19-7-8-20-14/h1-2,9,11H,3-8H2
InChIKeyAAOKQBYBPFLTTB-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.80
Rot. Bonds3

About 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane

8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane (PubChem CID 58421665) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
PubChem CID58421665
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
SMILESO=[N+]([O-])c1ccc(F)cc1OC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16FNO5/c15-10-1-2-12(16(17)18)13(9-10)21-11-3-5-14(6-4-11)19-7-8-20-14/h1-2,9,11H,3-8H2
InChIKeyAAOKQBYBPFLTTB-UHFFFAOYSA-N
XLogP2.80
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43685316
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
tert-butyl-[(1S,3R)-3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 58421666
tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 67385067
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
(3aR,6R)-6-(5-fluoro-2-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 129116227
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
(3R,3aR,6S,6aS)-6-fluoro-3-(5-fluoro-2-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 86718464
N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
CID 67389298

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane (CID 58421665) is 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane is O=[N+]([O-])c1ccc(F)cc1OC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane?
The InChIKey is AAOKQBYBPFLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c15-10-1-2-12(16(17)18)13(9-10)21-11-3-5-14(6-4-11)19-7-8-20-14/h1-2,9,11H,3-8H2.
What are the key properties of 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane?
8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane has a molecular weight of 297.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58421665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).