7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one

C12H12FNO2 — CID 117126986

IUPAC7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one
SMILESO=C1Oc2c(F)cccc2C12CCNCC2
InChIInChI=1S/C12H12FNO2/c13-9-3-1-2-8-10(9)16-11(15)12(8)4-6-14-7-5-12/h1-3,14H,4-7H2
InChIKeyDGEPAMJQUGGAJR-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.37
Rot. Bonds

About 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one

7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one (PubChem CID 117126986) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one
PubChem CID117126986
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one
SMILESO=C1Oc2c(F)cccc2C12CCNCC2
InChIInChI=1S/C12H12FNO2/c13-9-3-1-2-8-10(9)16-11(15)12(8)4-6-14-7-5-12/h1-3,14H,4-7H2
InChIKeyDGEPAMJQUGGAJR-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluorospiro[1H-indole-3,4'-piperidine]-2-one
CID 84623509
7-fluoro-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 124527111
8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103664
spiro[piperidine-4,9'-xanthene]-4'-yl acetate
CID 70579384
7-nitrospiro[2H-1-benzofuran-3,4'-piperidine]
CID 22459352
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
3-(2-fluorophenyl)-3-methyloxolane-2,5-dione
CID 43134872
spiro[pyrrolidine-3,9'-xanthene]
CID 10444168
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 82803603
4-fluoro-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 138594585
7-fluorospiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 83830130

Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one?
The IUPAC name of 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one (CID 117126986) is 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one.
What is the SMILES notation for 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one?
The canonical SMILES for 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one is O=C1Oc2c(F)cccc2C12CCNCC2.
What is the InChIKey of 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one?
The InChIKey is DGEPAMJQUGGAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-9-3-1-2-8-10(9)16-11(15)12(8)4-6-14-7-5-12/h1-3,14H,4-7H2.
What are the key properties of 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one?
7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one has a molecular weight of 221.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one is sourced from PubChem (CID 117126986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).