6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride

C11H11Cl2F3N2O2 — CID 66662618

IUPAC6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride
SMILESCl.Cl.O=C1OC2(CCNC2)c2cc(C(F)(F)F)ncc21
InChIInChI=1S/C11H9F3N2O2.2ClH/c12-11(13,14)8-3-7-6(4-16-8)9(17)18-10(7)1-2-15-5-10;;/h3-4,15H,1-2,5H2;2*1H
InChIKeySSDWWMPFQAUOJV-UHFFFAOYSA-N
MW331.12 g/mol
LogP2.30
Rot. Bonds

About 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride

6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride (PubChem CID 66662618) has the molecular formula C11H11Cl2F3N2O2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride
PubChem CID66662618
Molecular FormulaC11H11Cl2F3N2O2
Molecular Weight331.12 g/mol
Exact Mass330.01
IUPAC Name6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride
SMILESCl.Cl.O=C1OC2(CCNC2)c2cc(C(F)(F)F)ncc21
InChIInChI=1S/C11H9F3N2O2.2ClH/c12-11(13,14)8-3-7-6(4-16-8)9(17)18-10(7)1-2-15-5-10;;/h3-4,15H,1-2,5H2;2*1H
InChIKeySSDWWMPFQAUOJV-UHFFFAOYSA-N
XLogP2.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride?
The IUPAC name of 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride (CID 66662618) is 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride?
The canonical SMILES for 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride is Cl.Cl.O=C1OC2(CCNC2)c2cc(C(F)(F)F)ncc21.
What is the InChIKey of 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride?
The InChIKey is SSDWWMPFQAUOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2.2ClH/c12-11(13,14)8-3-7-6(4-16-8)9(17)18-10(7)1-2-15-5-10;;/h3-4,15H,1-2,5H2;2*1H.
What are the key properties of 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride?
6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride has a molecular weight of 331.12 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride is sourced from PubChem (CID 66662618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).