(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride

C12H14ClF2NO2 — CID 171215690

IUPAC(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc2c(c1)OC(F)(F)O2)C1CCC1
InChIInChI=1S/C12H13F2NO2.ClH/c13-12(14)16-9-5-4-8(6-10(9)17-12)11(15)7-2-1-3-7;/h4-7,11H,1-3,15H2;1H/t11-;/m1./s1
InChIKeyHMMCGWVHVADDSD-RFVHGSKJSA-N
MW277.70 g/mol
LogP3.23
Rot. Bonds2

About (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride

(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride (PubChem CID 171215690) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride
PubChem CID171215690
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc2c(c1)OC(F)(F)O2)C1CCC1
InChIInChI=1S/C12H13F2NO2.ClH/c13-12(14)16-9-5-4-8(6-10(9)17-12)11(15)7-2-1-3-7;/h4-7,11H,1-3,15H2;1H/t11-;/m1./s1
InChIKeyHMMCGWVHVADDSD-RFVHGSKJSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclopropyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride
CID 162344490
(S)-(2,2-difluoro-1,3-benzodioxol-5-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171244891
(1R,2S)-2-amino-1-cyclobutyl-2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol;hydrochloride
CID 171271590
(1S)-2-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanamine
CID 171235314
(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-difluoroethanamine;hydrochloride
CID 171251622
1-[(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine;hydrochloride
CID 171178024
(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoroethanamine;hydrochloride
CID 171235298
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
1-[(S)-cyclopentyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine;hydrochloride
CID 171167716
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride (CID 171215690) is (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride is Cl.N[C@@H](c1ccc2c(c1)OC(F)(F)O2)C1CCC1.
What is the InChIKey of (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride?
The InChIKey is HMMCGWVHVADDSD-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H13F2NO2.ClH/c13-12(14)16-9-5-4-8(6-10(9)17-12)11(15)7-2-1-3-7;/h4-7,11H,1-3,15H2;1H/t11-;/m1./s1.
What are the key properties of (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride?
(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride has a molecular weight of 277.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 171215690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).