6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]

C12H14FNO2 — CID 11368068

IUPAC6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESFc1ccc2c(c1)COC1(CCNCC1)O2
InChIInChI=1S/C12H14FNO2/c13-10-1-2-11-9(7-10)8-15-12(16-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyCRSSHWIOTVBTKI-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.81
Rot. Bonds

About 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]

6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 11368068) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID11368068
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESFc1ccc2c(c1)COC1(CCNCC1)O2
InChIInChI=1S/C12H14FNO2/c13-10-1-2-11-9(7-10)8-15-12(16-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyCRSSHWIOTVBTKI-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 11368068) is 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine] is Fc1ccc2c(c1)COC1(CCNCC1)O2.
What is the InChIKey of 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is CRSSHWIOTVBTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-1-2-11-9(7-10)8-15-12(16-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2.
What are the key properties of 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 223.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 11368068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).