2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol

C24H19Cl2F2NO — CID 11374234

IUPAC2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol
SMILESOCC(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C24H19Cl2F2NO/c25-19-5-1-15(2-6-19)24(16-3-7-20(26)8-4-16)29-12-18(13-29)23(14-30)17-9-21(27)11-22(28)10-17/h1-11,24,30H,12-14H2
InChIKeyQIMHYVNEGJYISR-UHFFFAOYSA-N
MW446.32 g/mol
LogP6.12
Rot. Bonds5

About 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol

2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol (PubChem CID 11374234) has the molecular formula C24H19Cl2F2NO and a molecular weight of 446.32 g/mol. Its IUPAC name is 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol
PubChem CID11374234
Molecular FormulaC24H19Cl2F2NO
Molecular Weight446.32 g/mol
Exact Mass445.08
IUPAC Name2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol
SMILESOCC(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C24H19Cl2F2NO/c25-19-5-1-15(2-6-19)24(16-3-7-20(26)8-4-16)29-12-18(13-29)23(14-30)17-9-21(27)11-22(28)10-17/h1-11,24,30H,12-14H2
InChIKeyQIMHYVNEGJYISR-UHFFFAOYSA-N
XLogP6.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.32
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-3-(3,5-difluorophenyl)propanenitrile
CID 67065921
1-[bis(4-chlorophenyl)methyl]-3-[1-(3,5-difluorophenyl)-2,2-dimethylpropylidene]azetidine
CID 11236799
1-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 11317433
1-[(R)-[4-(chloromethyl)phenyl]-(4-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]azetidine
CID 68585854
[2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethyl] (4-nitrophenyl) carbonate
CID 11376999
4-[(S)-(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]azetidin-1-yl]methyl]-N-ethylbenzamide
CID 10302039
3-[(4-chlorophenyl)-[3-[1-(3,5-difluorophenyl)-2,2-dimethylpropylidene]azetidin-1-yl]methyl]benzonitrile
CID 11374665
4-[[4-[(S)-(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]azetidin-1-yl]methyl]phenyl]methyl]piperazin-2-one
CID 10120738
1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine
CID 141041542
1-[bis(4-chlorophenyl)methyl]-3-[1-(3,5-difluorophenyl)-2-methylpropyl]azetidine
CID 90916383
N-[[(2S)-2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-2-(3,5-difluorophenyl)cyclopropyl]methyl]acetamide
CID 68883936
1-[(4-chlorophenyl)-[4-(hydroxymethyl)phenyl]methyl]-3-[(3,5-difluorophenyl)-methylsulfonylmethyl]azetidin-3-ol
CID 68588727

Frequently Asked Questions

What is the IUPAC name of 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol?
The IUPAC name of 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol (CID 11374234) is 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol?
The canonical SMILES for 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol is OCC(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol?
The InChIKey is QIMHYVNEGJYISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F2NO/c25-19-5-1-15(2-6-19)24(16-3-7-20(26)8-4-16)29-12-18(13-29)23(14-30)17-9-21(27)11-22(28)10-17/h1-11,24,30H,12-14H2.
What are the key properties of 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol?
2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol has a molecular weight of 446.32 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-2-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 11374234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).