3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride

C10H11ClF2N2O2 — CID 166607927

IUPAC3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2ccc3c(c2)OC(F)(F)O3)CNC1
InChIInChI=1S/C10H10F2N2O2.ClH/c11-10(12)15-7-2-1-6(3-8(7)16-10)9(13)4-14-5-9;/h1-3,14H,4-5,13H2;1H
InChIKeyDHXFYNKOOUWIAG-UHFFFAOYSA-N
MW264.66 g/mol
LogP1.19
Rot. Bonds1

About 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride

3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride (PubChem CID 166607927) has the molecular formula C10H11ClF2N2O2 and a molecular weight of 264.66 g/mol. Its IUPAC name is 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride
PubChem CID166607927
Molecular FormulaC10H11ClF2N2O2
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC Name3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2ccc3c(c2)OC(F)(F)O3)CNC1
InChIInChI=1S/C10H10F2N2O2.ClH/c11-10(12)15-7-2-1-6(3-8(7)16-10)9(13)4-14-5-9;/h1-3,14H,4-5,13H2;1H
InChIKeyDHXFYNKOOUWIAG-UHFFFAOYSA-N
XLogP1.19
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine
CID 117354591
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
CID 59188176
[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol
CID 116989014
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
CID 84794385
3-(1-benzothiophen-6-yl)azetidin-3-amine
CID 166608917
3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride
CID 166608754
(E)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenamine
CID 131238479
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-iodoethanone
CID 88899532
2,2-difluoro-1,3-benzodioxol-5-ol
CID 67356342
(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-difluoroethanamine;hydrochloride
CID 171251622
2-chloro-2-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
CID 153410836
2-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]azetidin-3-yl]acetic acid
CID 107142172

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride?
The IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride (CID 166607927) is 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride is Cl.NC1(c2ccc3c(c2)OC(F)(F)O3)CNC1.
What is the InChIKey of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride?
The InChIKey is DHXFYNKOOUWIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2.ClH/c11-10(12)15-7-2-1-6(3-8(7)16-10)9(13)4-14-5-9;/h1-3,14H,4-5,13H2;1H.
What are the key properties of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride?
3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride has a molecular weight of 264.66 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166607927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).