3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride

C11H15ClFN — CID 122239730

IUPAC3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride
SMILESCc1ccccc1CC1(F)CNC1.Cl
InChIInChI=1S/C11H14FN.ClH/c1-9-4-2-3-5-10(9)6-11(12)7-13-8-11;/h2-5,13H,6-8H2,1H3;1H
InChIKeyVVARNSGVKYBUOQ-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.27
Rot. Bonds2

About 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride

3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride (PubChem CID 122239730) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride
PubChem CID122239730
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride
SMILESCc1ccccc1CC1(F)CNC1.Cl
InChIInChI=1S/C11H14FN.ClH/c1-9-4-2-3-5-10(9)6-11(12)7-13-8-11;/h2-5,13H,6-8H2,1H3;1H
InChIKeyVVARNSGVKYBUOQ-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine
CID 79460505
N-methyl-1-[1-[(2-methylphenyl)methyl]cyclopropyl]ethanamine
CID 106797530
2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride
CID 117226848
3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol
CID 114501868
3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine
CID 112564286
CID 140700178
CID 140700178
3-fluoro-3-[(4-fluorophenyl)methyl]azetidine
CID 112563497
3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79451683
5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 117158984
3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563405
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
ethane;2-(2-methylphenyl)ethanamine
CID 91237349

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride (CID 122239730) is 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride is Cc1ccccc1CC1(F)CNC1.Cl.
What is the InChIKey of 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The InChIKey is VVARNSGVKYBUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN.ClH/c1-9-4-2-3-5-10(9)6-11(12)7-13-8-11;/h2-5,13H,6-8H2,1H3;1H.
What are the key properties of 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride?
3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 122239730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).