1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine

C26H27F2N — CID 68794269

IUPAC1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine
SMILESCC(C)(F)C(c1cccc(F)c1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H27F2N/c1-26(2,28)24(21-14-9-15-23(27)16-21)22-17-29(18-22)25(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-16,22,24-25H,17-18H2,1-2H3
InChIKeyNTUWXSVIMACOCJ-UHFFFAOYSA-N
MW391.51 g/mol
LogP6.38
Rot. Bonds6

About 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine

1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine (PubChem CID 68794269) has the molecular formula C26H27F2N and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine
PubChem CID68794269
Molecular FormulaC26H27F2N
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine
SMILESCC(C)(F)C(c1cccc(F)c1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H27F2N/c1-26(2,28)24(21-14-9-15-23(27)16-21)22-17-29(18-22)25(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-16,22,24-25H,17-18H2,1-2H3
InChIKeyNTUWXSVIMACOCJ-UHFFFAOYSA-N
XLogP6.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[3-[1-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]-(4-methylphenyl)methyl]benzonitrile
CID 11293814
3-[[3-[1-(3-bromo-5-fluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]-(4-cyanophenyl)methyl]benzonitrile
CID 67055365
1-[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol
CID 11476275
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
3-[[3-[(1S)-1-(3-bromo-5-fluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]-(4-chlorophenyl)methyl]-N'-hydroxybenzenecarboximidamide
CID 91611851
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine
CID 162572290
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
2-[(4-chlorophenyl)-[3-[1-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]methyl]-1,3-thiazole-4-carbonitrile
CID 69171089
(1-benzhydrylazetidin-3-yl)-(2,5-difluorophenyl)methanol;1-benzhydryl-3-[(2,5-difluorophenyl)-fluoromethyl]azetidine
CID 161202940
1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 22451532

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine?
The IUPAC name of 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine (CID 68794269) is 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine.
What is the SMILES notation for 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine?
The canonical SMILES for 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine is CC(C)(F)C(c1cccc(F)c1)C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine?
The InChIKey is NTUWXSVIMACOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N/c1-26(2,28)24(21-14-9-15-23(27)16-21)22-17-29(18-22)25(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-16,22,24-25H,17-18H2,1-2H3.
What are the key properties of 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine?
1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine has a molecular weight of 391.51 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine is sourced from PubChem (CID 68794269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).