6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C13H16FNO2 — CID 82045746

IUPAC6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESOC1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H16FNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,11,15-16H,3-6,8H2
InChIKeyDCQXZBOLXSOOCY-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.76
Rot. Bonds

About 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 82045746) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID82045746
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESOC1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H16FNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,11,15-16H,3-6,8H2
InChIKeyDCQXZBOLXSOOCY-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 82045746) is 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is OC1CC2(CCNCC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is DCQXZBOLXSOOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,11,15-16H,3-6,8H2.
What are the key properties of 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 237.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 82045746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).