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

C14H17ClF3NO2 — CID 171926122

IUPAC5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
SMILESCl.FC(F)(F)Oc1cccc2c1CCC1(CCNCC1)O2
InChIInChI=1S/C14H16F3NO2.ClH/c15-14(16,17)20-12-3-1-2-11-10(12)4-5-13(19-11)6-8-18-9-7-13;/h1-3,18H,4-9H2;1H
InChIKeyWXDWFSHARAEUMG-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.45
Rot. Bonds1

About 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride

5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride (PubChem CID 171926122) has the molecular formula C14H17ClF3NO2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
PubChem CID171926122
Molecular FormulaC14H17ClF3NO2
Molecular Weight323.74 g/mol
Exact Mass323.09
IUPAC Name5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
SMILESCl.FC(F)(F)Oc1cccc2c1CCC1(CCNCC1)O2
InChIInChI=1S/C14H16F3NO2.ClH/c15-14(16,17)20-12-3-1-2-11-10(12)4-5-13(19-11)6-8-18-9-7-13;/h1-3,18H,4-9H2;1H
InChIKeyWXDWFSHARAEUMG-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[3,4-dihydrochromene-2,4'-piperidine]-5-ol
CID 68756390
5-(trifluoromethoxy)spiro[chromene-2,4'-piperidine]
CID 58564271
4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride
CID 68663344
1'-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
CID 171931069
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
N-[[2-(trifluoromethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56886165
5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045708
2-[5-[5-[5-(1,1-difluoroethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1,3,4-thiadiazol-2-yl]tetrazol-2-yl]acetic acid
CID 58564322
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060
(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
CID 129406410
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The IUPAC name of 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride (CID 171926122) is 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride.
What is the SMILES notation for 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The canonical SMILES for 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride is Cl.FC(F)(F)Oc1cccc2c1CCC1(CCNCC1)O2.
What is the InChIKey of 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The InChIKey is WXDWFSHARAEUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2.ClH/c15-14(16,17)20-12-3-1-2-11-10(12)4-5-13(19-11)6-8-18-9-7-13;/h1-3,18H,4-9H2;1H.
What are the key properties of 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride has a molecular weight of 323.74 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride is sourced from PubChem (CID 171926122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).