1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol

C26H25F4NO — CID 11476275

IUPAC1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C26H25F4NO/c1-26(2,32)24(18-11-22(29)13-23(30)12-18)19-14-31(15-19)25(16-3-7-20(27)8-4-16)17-5-9-21(28)10-6-17/h3-13,19,24-25,32H,14-15H2,1-2H3
InChIKeyMWIWFPPSBUSSNV-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.82
Rot. Bonds6

About 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol

1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol (PubChem CID 11476275) has the molecular formula C26H25F4NO and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol
PubChem CID11476275
Molecular FormulaC26H25F4NO
Molecular Weight443.48 g/mol
Exact Mass443.19
IUPAC Name1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C26H25F4NO/c1-26(2,32)24(18-11-22(29)13-23(30)12-18)19-14-31(15-19)25(16-3-7-20(27)8-4-16)17-5-9-21(28)10-6-17/h3-13,19,24-25,32H,14-15H2,1-2H3
InChIKeyMWIWFPPSBUSSNV-UHFFFAOYSA-N
XLogP5.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)-methylsulfinylmethyl]azetidine
CID 69157355
1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine
CID 68794269
3-[[3-[1-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]-(4-methylphenyl)methyl]benzonitrile
CID 11293814
1-[bis(4-chlorophenyl)methyl]-3-[1-(3,5-difluorophenyl)-2-methylpropyl]azetidine
CID 90916383
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 56509402
3-[[3-[1-(3-bromo-5-fluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]-(4-cyanophenyl)methyl]benzonitrile
CID 67055365
3-[(R)-(4-chloro-3-iodophenyl)-[3-[(1S)-1-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]methyl]benzonitrile
CID 67065943
3-[(6-chloro-3-pyridinyl)-[3-[1-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]methyl]benzonitrile
CID 11363388
2-[(4-chlorophenyl)-[3-[1-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]methyl]-1,3-thiazole-4-carbonitrile
CID 69171089
3-[[3-[(1S)-1-(3-bromo-5-fluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]-(4-chlorophenyl)methyl]-N'-hydroxybenzenecarboximidamide
CID 91611851
3-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(3,5-difluorophenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 67065873
N-[2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide
CID 68883997

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol (CID 11476275) is 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol is CC(C)(O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol?
The InChIKey is MWIWFPPSBUSSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4NO/c1-26(2,32)24(18-11-22(29)13-23(30)12-18)19-14-31(15-19)25(16-3-7-20(27)8-4-16)17-5-9-21(28)10-6-17/h3-13,19,24-25,32H,14-15H2,1-2H3.
What are the key properties of 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol?
1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol has a molecular weight of 443.48 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 11476275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).