3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine

C15H19FN2O3 — CID 66357950

IUPAC3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine
SMILESNC1CC(Oc2cc(F)ccc2[N+](=O)[O-])C12CCCCC2
InChIInChI=1S/C15H19FN2O3/c16-10-4-5-11(18(19)20)12(8-10)21-14-9-13(17)15(14)6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7,9,17H2
InChIKeyVKDPKOCHYZUWPC-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.16
Rot. Bonds3

About 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine

3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine (PubChem CID 66357950) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine
PubChem CID66357950
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine
SMILESNC1CC(Oc2cc(F)ccc2[N+](=O)[O-])C12CCCCC2
InChIInChI=1S/C15H19FN2O3/c16-10-4-5-11(18(19)20)12(8-10)21-14-9-13(17)15(14)6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7,9,17H2
InChIKeyVKDPKOCHYZUWPC-UHFFFAOYSA-N
XLogP3.16
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(4-bromo-2-nitrophenoxy)spiro[3.4]octan-1-amine
CID 66350966
3-bromo-1-(5-methyl-2-nitrophenoxy)spiro[3.5]nonane
CID 66346570
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
3-(2-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366465
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol
CID 66367092
2-(3-chloro-2,2-diethylcyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343389
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213300
3-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 114677220
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine (CID 66357950) is 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine is NC1CC(Oc2cc(F)ccc2[N+](=O)[O-])C12CCCCC2.
What is the InChIKey of 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine?
The InChIKey is VKDPKOCHYZUWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-10-4-5-11(18(19)20)12(8-10)21-14-9-13(17)15(14)6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7,9,17H2.
What are the key properties of 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine?
3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine has a molecular weight of 294.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66357950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).