1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one

C15H16FNO4 — CID 66367673

IUPAC1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one
SMILESO=C1CC(Oc2ccc([N+](=O)[O-])c(F)c2)C12CCCCC2
InChIInChI=1S/C15H16FNO4/c16-11-8-10(4-5-12(11)17(19)20)21-14-9-13(18)15(14)6-2-1-3-7-15/h4-5,8,14H,1-3,6-7,9H2
InChIKeyNBWJOMIZYVERJB-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one

1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one (PubChem CID 66367673) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one
PubChem CID66367673
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one
SMILESO=C1CC(Oc2ccc([N+](=O)[O-])c(F)c2)C12CCCCC2
InChIInChI=1S/C15H16FNO4/c16-11-8-10(4-5-12(11)17(19)20)21-14-9-13(18)15(14)6-2-1-3-7-15/h4-5,8,14H,1-3,6-7,9H2
InChIKeyNBWJOMIZYVERJB-UHFFFAOYSA-N
XLogP3.40
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
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

1-(4-bromo-3-fluorophenoxy)spiro[3.5]nonan-3-one
CID 66368502
3-chloro-1-(3-fluoro-4-nitrophenoxy)spiro[3.4]octane
CID 66343285
1-phenoxyspiro[3.5]nonan-3-one
CID 66368840
4-(3-bromocyclobutyl)oxy-2-fluoro-1-nitrobenzene
CID 66344105
1-(4-bromo-3-methylphenoxy)spiro[3.4]octan-3-one
CID 83134532
1-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-3-one
CID 114677185
1-(2,6-dibromo-4-nitrophenoxy)spiro[3.4]octan-3-one
CID 66368901
1-(2,6-difluorophenoxy)spiro[3.4]octan-3-one
CID 81267991
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one
CID 66366370
1-(4-ethylphenoxy)spiro[3.6]decan-3-one
CID 66368427
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octan-3-one
CID 66369238
4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene
CID 115618739

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one?
The IUPAC name of 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one (CID 66367673) is 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one?
The canonical SMILES for 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one is O=C1CC(Oc2ccc([N+](=O)[O-])c(F)c2)C12CCCCC2.
What is the InChIKey of 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one?
The InChIKey is NBWJOMIZYVERJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-11-8-10(4-5-12(11)17(19)20)21-14-9-13(18)15(14)6-2-1-3-7-15/h4-5,8,14H,1-3,6-7,9H2.
What are the key properties of 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one?
1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one has a molecular weight of 293.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one is sourced from PubChem (CID 66367673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).