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

C10H12ClF2N — CID 54596092

IUPAC3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
SMILESCl.Fc1cccc(F)c1CC1CNC1
InChIInChI=1S/C10H11F2N.ClH/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7;/h1-3,7,13H,4-6H2;1H
InChIKeyWTYJHKPVOGTJRF-UHFFFAOYSA-N
MW219.66 g/mol
LogP2.15
Rot. Bonds2

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

3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride (PubChem CID 54596092) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
PubChem CID54596092
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
SMILESCl.Fc1cccc(F)c1CC1CNC1
InChIInChI=1S/C10H11F2N.ClH/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7;/h1-3,7,13H,4-6H2;1H
InChIKeyWTYJHKPVOGTJRF-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride (CID 54596092) is 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride is Cl.Fc1cccc(F)c1CC1CNC1.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride?
The InChIKey is WTYJHKPVOGTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N.ClH/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7;/h1-3,7,13H,4-6H2;1H.
What are the key properties of 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride?
3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride has a molecular weight of 219.66 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 54596092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).