3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine

C17H17F2N — CID 114935042

IUPAC3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
SMILESFc1cccc(F)c1CC1(Cc2ccccc2)CNC1
InChIInChI=1S/C17H17F2N/c18-15-7-4-8-16(19)14(15)10-17(11-20-12-17)9-13-5-2-1-3-6-13/h1-8,20H,9-12H2
InChIKeyAMHMFRIJJCVOGM-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.34
Rot. Bonds4

About 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine

3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine (PubChem CID 114935042) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
PubChem CID114935042
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
SMILESFc1cccc(F)c1CC1(Cc2ccccc2)CNC1
InChIInChI=1S/C17H17F2N/c18-15-7-4-8-16(19)14(15)10-17(11-20-12-17)9-13-5-2-1-3-6-13/h1-8,20H,9-12H2
InChIKeyAMHMFRIJJCVOGM-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
CID 115984672
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 114934841
3-benzyl-3-[(3-bromo-5-fluorophenyl)methyl]azetidine
CID 79711007
3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine
CID 79451201
3-benzyl-3-butylazetidine
CID 79451820
5,5-dibenzyl-1,3-diazinan-2-one
CID 10978856
3-benzyl-3-nonylazetidine
CID 79451822
3-benzyl-3-(fluoromethyl)piperidine
CID 84779719
(3-benzylpyrrolidin-3-yl)methanamine
CID 142188778
3-benzyl-3-[(2-chloro-4-methylphenyl)methyl]azetidine
CID 106870811
3-benzylazetidin-3-ol;hydrochloride
CID 67974163

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine?
The IUPAC name of 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine (CID 114935042) is 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine?
The canonical SMILES for 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine is Fc1cccc(F)c1CC1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine?
The InChIKey is AMHMFRIJJCVOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c18-15-7-4-8-16(19)14(15)10-17(11-20-12-17)9-13-5-2-1-3-6-13/h1-8,20H,9-12H2.
What are the key properties of 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine?
3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine has a molecular weight of 273.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine is sourced from PubChem (CID 114935042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).