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

C13H15ClFNO2 — CID 68663303

IUPAC6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H14FNO2.ClH/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;1H
InChIKeyVITABEUPCHVIAC-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.33
Rot. Bonds

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

6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride (PubChem CID 68663303) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
PubChem CID68663303
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H14FNO2.ClH/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;1H
InChIKeyVITABEUPCHVIAC-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207087
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
CID 114672216
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
4'-tert-butyl-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672239
methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride
CID 66781896
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003
6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672193
azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride (CID 68663303) is 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride is Cl.O=C1CC2(CCNCC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The InChIKey is VITABEUPCHVIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2.ClH/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;1H.
What are the key properties of 6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride has a molecular weight of 271.72 g/mol, XLogP of 2.33, 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;hydrochloride is sourced from PubChem (CID 68663303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).