1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one

C25H21F5N2O3 — CID 167058107

IUPAC1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one
SMILESCC(O)(c1ccc(-c2c(F)cc(CN3CC4(Cc5ccc(=O)[nH]c5O4)C3)cc2F)cc1)C(F)(F)F
InChIInChI=1S/C25H21F5N2O3/c1-23(34,25(28,29)30)17-5-2-15(3-6-17)21-18(26)8-14(9-19(21)27)11-32-12-24(13-32)10-16-4-7-20(33)31-22(16)35-24/h2-9,34H,10-13H2,1H3,(H,31,33)
InChIKeyUESWLFOYIUCSRQ-UHFFFAOYSA-N
MW492.44 g/mol
LogP4.28
Rot. Bonds4

About 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one

1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one (PubChem CID 167058107) has the molecular formula C25H21F5N2O3 and a molecular weight of 492.44 g/mol. Its IUPAC name is 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one.

Molecular Properties

Compound Name1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one
PubChem CID167058107
Molecular FormulaC25H21F5N2O3
Molecular Weight492.44 g/mol
Exact Mass492.15
IUPAC Name1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one
SMILESCC(O)(c1ccc(-c2c(F)cc(CN3CC4(Cc5ccc(=O)[nH]c5O4)C3)cc2F)cc1)C(F)(F)F
InChIInChI=1S/C25H21F5N2O3/c1-23(34,25(28,29)30)17-5-2-15(3-6-17)21-18(26)8-14(9-19(21)27)11-32-12-24(13-32)10-16-4-7-20(33)31-22(16)35-24/h2-9,34H,10-13H2,1H3,(H,31,33)
InChIKeyUESWLFOYIUCSRQ-UHFFFAOYSA-N
XLogP4.28
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one?
The IUPAC name of 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one (CID 167058107) is 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one.
What is the SMILES notation for 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one?
The canonical SMILES for 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one is CC(O)(c1ccc(-c2c(F)cc(CN3CC4(Cc5ccc(=O)[nH]c5O4)C3)cc2F)cc1)C(F)(F)F.
What is the InChIKey of 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one?
The InChIKey is UESWLFOYIUCSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N2O3/c1-23(34,25(28,29)30)17-5-2-15(3-6-17)21-18(26)8-14(9-19(21)27)11-32-12-24(13-32)10-16-4-7-20(33)31-22(16)35-24/h2-9,34H,10-13H2,1H3,(H,31,33).
What are the key properties of 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one?
1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one has a molecular weight of 492.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[3,5-difluoro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,3'-azetidine]-6-one is sourced from PubChem (CID 167058107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).