(2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride

C10H10ClF2NO2 — CID 171197321

IUPAC(2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride
SMILESCl.FC1(F)Oc2cccc([C@H]3CCN3)c2O1
InChIInChI=1S/C10H9F2NO2.ClH/c11-10(12)14-8-3-1-2-6(9(8)15-10)7-4-5-13-7;/h1-3,7,13H,4-5H2;1H/t7-;/m1./s1
InChIKeyVQZWUTYULTUEGE-OGFXRTJISA-N
MW249.64 g/mol
LogP2.46
Rot. Bonds1

About (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride

(2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride (PubChem CID 171197321) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride
PubChem CID171197321
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name(2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride
SMILESCl.FC1(F)Oc2cccc([C@H]3CCN3)c2O1
InChIInChI=1S/C10H9F2NO2.ClH/c11-10(12)14-8-3-1-2-6(9(8)15-10)7-4-5-13-7;/h1-3,7,13H,4-5H2;1H/t7-;/m1./s1
InChIKeyVQZWUTYULTUEGE-OGFXRTJISA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
(4S)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188328
(4S)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171186851
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 50965642
1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171279276
1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]piperazine;hydrochloride
CID 171170879
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile
CID 156600151
1-[(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]piperazine;dihydrochloride
CID 171279270
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
CID 117354622
(1S,2R)-2-amino-1-cyclopropyl-2-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanol
CID 171263422
1-[(S)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]piperazine
CID 171180088
(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
CID 171195463

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride (CID 171197321) is (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride is Cl.FC1(F)Oc2cccc([C@H]3CCN3)c2O1.
What is the InChIKey of (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride?
The InChIKey is VQZWUTYULTUEGE-OGFXRTJISA-N. The full InChI is InChI=1S/C10H9F2NO2.ClH/c11-10(12)14-8-3-1-2-6(9(8)15-10)7-4-5-13-7;/h1-3,7,13H,4-5H2;1H/t7-;/m1./s1.
What are the key properties of (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride?
(2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride has a molecular weight of 249.64 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride is sourced from PubChem (CID 171197321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).