6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride

C14H15ClF3NO2 — CID 68663844

IUPAC6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1CC2(CCNCC2)Oc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H14F3NO2.ClH/c15-14(16,17)9-1-2-12-10(7-9)11(19)8-13(20-12)3-5-18-6-4-13;/h1-2,7,18H,3-6,8H2;1H
InChIKeyPUAWJLICHKPCBG-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.21
Rot. Bonds

About 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride

6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride (PubChem CID 68663844) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
PubChem CID68663844
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC Name6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1CC2(CCNCC2)Oc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H14F3NO2.ClH/c15-14(16,17)9-1-2-12-10(7-9)11(19)8-13(20-12)3-5-18-6-4-13;/h1-2,7,18H,3-6,8H2;1H
InChIKeyPUAWJLICHKPCBG-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride (CID 68663844) is 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride is Cl.O=C1CC2(CCNCC2)Oc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The InChIKey is PUAWJLICHKPCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2.ClH/c15-14(16,17)9-1-2-12-10(7-9)11(19)8-13(20-12)3-5-18-6-4-13;/h1-2,7,18H,3-6,8H2;1H.
What are the key properties of 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride has a molecular weight of 321.73 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 68663844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).