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

C22H16F6N2O3 — CID 87094854

IUPAC6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)C2)c2cc(C(F)(F)F)ncc21
InChIInChI=1S/C22H16F6N2O3/c23-21(24,25)13-3-1-12(2-4-13)19(5-6-19)18(32)30-8-7-20(11-30)15-9-16(22(26,27)28)29-10-14(15)17(31)33-20/h1-4,9-10H,5-8,11H2
InChIKeyHBFIKEUBOPFTCF-UHFFFAOYSA-N
MW470.37 g/mol
LogP4.45
Rot. Bonds2

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

6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 87094854) has the molecular formula C22H16F6N2O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID87094854
Molecular FormulaC22H16F6N2O3
Molecular Weight470.37 g/mol
Exact Mass470.11
IUPAC Name6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)C2)c2cc(C(F)(F)F)ncc21
InChIInChI=1S/C22H16F6N2O3/c23-21(24,25)13-3-1-12(2-4-13)19(5-6-19)18(32)30-8-7-20(11-30)15-9-16(22(26,27)28)29-10-14(15)17(31)33-20/h1-4,9-10H,5-8,11H2
InChIKeyHBFIKEUBOPFTCF-UHFFFAOYSA-N
XLogP4.45
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 87094854) is 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)C2)c2cc(C(F)(F)F)ncc21.
What is the InChIKey of 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is HBFIKEUBOPFTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O3/c23-21(24,25)13-3-1-12(2-4-13)19(5-6-19)18(32)30-8-7-20(11-30)15-9-16(22(26,27)28)29-10-14(15)17(31)33-20/h1-4,9-10H,5-8,11H2.
What are the key properties of 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 470.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1'-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 87094854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).