7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one

C13H14FNO2 — CID 58041390

IUPAC7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H14FNO2/c14-9-1-2-10-11(16)8-13(17-12(10)7-9)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChIKeyNWPYZJDSURRWRS-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.91
Rot. Bonds

About 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one

7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 58041390) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID58041390
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H14FNO2/c14-9-1-2-10-11(16)8-13(17-12(10)7-9)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChIKeyNWPYZJDSURRWRS-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one (CID 58041390) is 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCNCC2)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is NWPYZJDSURRWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-9-1-2-10-11(16)8-13(17-12(10)7-9)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2.
What are the key properties of 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one?
7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 235.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 58041390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).