8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one

C14H16FNO2 — CID 82046362

IUPAC8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESNc1cc(F)cc2c1OC1(CCCCC1)CC2=O
InChIInChI=1S/C14H16FNO2/c15-9-6-10-12(17)8-14(4-2-1-3-5-14)18-13(10)11(16)7-9/h6-7H,1-5,8,16H2
InChIKeyKXQMHALIKWZLET-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.08
Rot. Bonds

About 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one

8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 82046362) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID82046362
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESNc1cc(F)cc2c1OC1(CCCCC1)CC2=O
InChIInChI=1S/C14H16FNO2/c15-9-6-10-12(17)8-14(4-2-1-3-5-14)18-13(10)11(16)7-9/h6-7H,1-5,8,16H2
InChIKeyKXQMHALIKWZLET-UHFFFAOYSA-N
XLogP3.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 82046362) is 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one is Nc1cc(F)cc2c1OC1(CCCCC1)CC2=O.
What is the InChIKey of 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is KXQMHALIKWZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-9-6-10-12(17)8-14(4-2-1-3-5-14)18-13(10)11(16)7-9/h6-7H,1-5,8,16H2.
What are the key properties of 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one?
8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 249.28 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 82046362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).