6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C22H18F6N2O3 — CID 118205733

IUPAC6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCNC2)c2cc(C(F)(F)F)nc(C(=O)C3(C4C=CC(C(F)(F)F)=CC4)CC3)c21
InChIInChI=1S/C22H18F6N2O3/c23-21(24,25)12-3-1-11(2-4-12)19(5-6-19)17(31)16-15-13(9-14(30-16)22(26,27)28)20(33-18(15)32)7-8-29-10-20/h1,3-4,9,11,29H,2,5-8,10H2
InChIKeyORSIVPLUMGPIAN-UHFFFAOYSA-N
MW472.39 g/mol
LogP4.49
Rot. Bonds3

About 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 118205733) has the molecular formula C22H18F6N2O3 and a molecular weight of 472.39 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID118205733
Molecular FormulaC22H18F6N2O3
Molecular Weight472.39 g/mol
Exact Mass472.12
IUPAC Name6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCNC2)c2cc(C(F)(F)F)nc(C(=O)C3(C4C=CC(C(F)(F)F)=CC4)CC3)c21
InChIInChI=1S/C22H18F6N2O3/c23-21(24,25)12-3-1-11(2-4-12)19(5-6-19)17(31)16-15-13(9-14(30-16)22(26,27)28)20(33-18(15)32)7-8-29-10-20/h1,3-4,9,11,29H,2,5-8,10H2
InChIKeyORSIVPLUMGPIAN-UHFFFAOYSA-N
XLogP4.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 118205733) is 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCNC2)c2cc(C(F)(F)F)nc(C(=O)C3(C4C=CC(C(F)(F)F)=CC4)CC3)c21.
What is the InChIKey of 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is ORSIVPLUMGPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N2O3/c23-21(24,25)12-3-1-11(2-4-12)19(5-6-19)17(31)16-15-13(9-14(30-16)22(26,27)28)20(33-18(15)32)7-8-29-10-20/h1,3-4,9,11,29H,2,5-8,10H2.
What are the key properties of 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 472.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 118205733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).