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

C12H14FNO2 — CID 117045993

IUPAC6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine]
SMILESFc1ccc2c(c1)OCC1(CCCNC1)O2
InChIInChI=1S/C12H14FNO2/c13-9-2-3-10-11(6-9)15-8-12(16-10)4-1-5-14-7-12/h2-3,6,14H,1,4-5,7-8H2
InChIKeyDUIXASBLXBLDNB-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.72
Rot. Bonds

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

6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine] (PubChem CID 117045993) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine].

Molecular Properties

Compound Name6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine]
PubChem CID117045993
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine]
SMILESFc1ccc2c(c1)OCC1(CCCNC1)O2
InChIInChI=1S/C12H14FNO2/c13-9-2-3-10-11(6-9)15-8-12(16-10)4-1-5-14-7-12/h2-3,6,14H,1,4-5,7-8H2
InChIKeyDUIXASBLXBLDNB-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]
CID 130901339
(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
CID 129406410
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
spiro[2H-1,4-benzodioxine-3,1'-cyclohexane]
CID 45122018
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
CID 104951816
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
6-(benzenesulfonyl)spiro[2H-1,4-benzodioxine-3,3'-pyrrolidine]
CID 11559008
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207087
2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
CID 23001347
spiro[2H-1-benzofuran-3,3'-piperidine];hydrochloride
CID 146155745

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine]?
The IUPAC name of 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine] (CID 117045993) is 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine].
What is the SMILES notation for 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine]?
The canonical SMILES for 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine] is Fc1ccc2c(c1)OCC1(CCCNC1)O2.
What is the InChIKey of 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine]?
The InChIKey is DUIXASBLXBLDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-9-2-3-10-11(6-9)15-8-12(16-10)4-1-5-14-7-12/h2-3,6,14H,1,4-5,7-8H2.
What are the key properties of 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine]?
6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine] has a molecular weight of 223.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[3H-1,4-benzodioxine-2,3'-piperidine] is sourced from PubChem (CID 117045993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).