7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]

C13H16FNO2 — CID 115062771

IUPAC7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]
SMILESFc1ccc2c(c1)COC1(CCNCC1)OC2
InChIInChI=1S/C13H16FNO2/c14-12-2-1-10-8-16-13(3-5-15-6-4-13)17-9-11(10)7-12/h1-2,7,15H,3-6,8-9H2
InChIKeyGTWYNYRUQZOCJL-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.95
Rot. Bonds

About 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]

7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine] (PubChem CID 115062771) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine].

Molecular Properties

Compound Name7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]
PubChem CID115062771
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]
SMILESFc1ccc2c(c1)COC1(CCNCC1)OC2
InChIInChI=1S/C13H16FNO2/c14-12-2-1-10-8-16-13(3-5-15-6-4-13)17-9-11(10)7-12/h1-2,7,15H,3-6,8-9H2
InChIKeyGTWYNYRUQZOCJL-UHFFFAOYSA-N
XLogP1.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine] with MolForge

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Related Compounds

6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
3-(7-fluoro-3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)pyrrolidine
CID 115062957
6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]
CID 155895187
7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10850583
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
spiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10845905
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
6-fluorospiro[1,3-dihydroindole-2,4'-piperidine]
CID 105459074
4-(2,4-difluorophenyl)-4-fluoropiperidine
CID 71239192
5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
CID 57459631
4-(2,4-difluorophenyl)piperidin-4-ol
CID 62801689
5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 126553087

Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]?
The IUPAC name of 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine] (CID 115062771) is 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine].
What is the SMILES notation for 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]?
The canonical SMILES for 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine] is Fc1ccc2c(c1)COC1(CCNCC1)OC2.
What is the InChIKey of 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]?
The InChIKey is GTWYNYRUQZOCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-2-1-10-8-16-13(3-5-15-6-4-13)17-9-11(10)7-12/h1-2,7,15H,3-6,8-9H2.
What are the key properties of 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]?
7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine] has a molecular weight of 237.27 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine] is sourced from PubChem (CID 115062771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).