1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one

C27H24F6N2O3 — CID 167058101

IUPAC1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one
SMILESO=c1ccc2c([nH]1)OC1(CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC1)C2
InChIInChI=1S/C27H24F6N2O3/c28-26(29,30)25(37,27(31,32)33)21-8-5-19(6-9-21)18-3-1-17(2-4-18)16-35-13-11-24(12-14-35)15-20-7-10-22(36)34-23(20)38-24/h1-10,37H,11-16H2,(H,34,36)
InChIKeyXJXXBLRYKPDGOA-UHFFFAOYSA-N
MW538.49 g/mol
LogP5.32
Rot. Bonds4

About 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one

1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one (PubChem CID 167058101) has the molecular formula C27H24F6N2O3 and a molecular weight of 538.49 g/mol. Its IUPAC name is 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one.

Molecular Properties

Compound Name1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one
PubChem CID167058101
Molecular FormulaC27H24F6N2O3
Molecular Weight538.49 g/mol
Exact Mass538.17
IUPAC Name1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one
SMILESO=c1ccc2c([nH]1)OC1(CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC1)C2
InChIInChI=1S/C27H24F6N2O3/c28-26(29,30)25(37,27(31,32)33)21-8-5-19(6-9-21)18-3-1-17(2-4-18)16-35-13-11-24(12-14-35)15-20-7-10-22(36)34-23(20)38-24/h1-10,37H,11-16H2,(H,34,36)
InChIKeyXJXXBLRYKPDGOA-UHFFFAOYSA-N
XLogP5.32
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.49
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one?
The IUPAC name of 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one (CID 167058101) is 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one.
What is the SMILES notation for 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one?
The canonical SMILES for 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one is O=c1ccc2c([nH]1)OC1(CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC1)C2.
What is the InChIKey of 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one?
The InChIKey is XJXXBLRYKPDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F6N2O3/c28-26(29,30)25(37,27(31,32)33)21-8-5-19(6-9-21)18-3-1-17(2-4-18)16-35-13-11-24(12-14-35)15-20-7-10-22(36)34-23(20)38-24/h1-10,37H,11-16H2,(H,34,36).
What are the key properties of 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one?
1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one has a molecular weight of 538.49 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one is sourced from PubChem (CID 167058101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).