1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride

C14H17ClF3NO2 — CID 171931069

IUPAC1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
SMILESCl.FC(F)(F)ON1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C14H16F3NO2.ClH/c15-14(16,17)20-18-9-7-13(8-10-18)6-5-11-3-1-2-4-12(11)19-13;/h1-4H,5-10H2;1H
InChIKeyZDMUVFPIBWALJU-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.72
Rot. Bonds1

About 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride

1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride (PubChem CID 171931069) has the molecular formula C14H17ClF3NO2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
PubChem CID171931069
Molecular FormulaC14H17ClF3NO2
Molecular Weight323.74 g/mol
Exact Mass323.09
IUPAC Name1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
SMILESCl.FC(F)(F)ON1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C14H16F3NO2.ClH/c15-14(16,17)20-18-9-7-13(8-10-18)6-5-11-3-1-2-4-12(11)19-13;/h1-4H,5-10H2;1H
InChIKeyZDMUVFPIBWALJU-UHFFFAOYSA-N
XLogP3.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 90565854
2,2-difluoro-3,4-dihydrochromene
CID 14418574
N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 90565791
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047486
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
5-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
CID 90565518
1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 175929220
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 20591075

Frequently Asked Questions

What is the IUPAC name of 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The IUPAC name of 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride (CID 171931069) is 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride is Cl.FC(F)(F)ON1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The InChIKey is ZDMUVFPIBWALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2.ClH/c15-14(16,17)20-18-9-7-13(8-10-18)6-5-11-3-1-2-4-12(11)19-13;/h1-4H,5-10H2;1H.
What are the key properties of 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride has a molecular weight of 323.74 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride is sourced from PubChem (CID 171931069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).