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

C13H14FNO2 — CID 16671868

IUPAC6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H14FNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChIKeyVIDRCVJKHNBSPC-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.91
Rot. Bonds

About 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one

6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 16671868) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID16671868
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H14FNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChIKeyVIDRCVJKHNBSPC-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

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one (CID 16671868) is 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCNCC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is VIDRCVJKHNBSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2.
What are the key properties of 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one?
6-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 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 16671868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).