1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine

C12H13F2NO2 — CID 117354591

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine
SMILESNC1(c2ccc3c(c2)OC(F)(F)O3)CCCC1
InChIInChI=1S/C12H13F2NO2/c13-12(14)16-9-4-3-8(7-10(9)17-12)11(15)5-1-2-6-11/h3-4,7H,1-2,5-6,15H2
InChIKeyQQBPMFZHIBMKJS-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.74
Rot. Bonds1

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine

1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine (PubChem CID 117354591) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine
PubChem CID117354591
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine
SMILESNC1(c2ccc3c(c2)OC(F)(F)O3)CCCC1
InChIInChI=1S/C12H13F2NO2/c13-12(14)16-9-4-3-8(7-10(9)17-12)11(15)5-1-2-6-11/h3-4,7H,1-2,5-6,15H2
InChIKeyQQBPMFZHIBMKJS-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
CID 84794385
3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride
CID 166607927
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-(2,2-dimethyl-1,3-benzoxathiol-6-yl)cyclopentan-1-amine
CID 117377637
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-iodoethanone
CID 88899532
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
CID 117334916
3-(1-aminocyclopentyl)aniline
CID 117047301
(E)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenamine
CID 131238479
2,2,3,3-tetradeuterio-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;2,2,3,3-tetradeuterio-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 158133647
2,2-difluoro-1,3-benzodioxol-5-ol
CID 67356342

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine (CID 117354591) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine is NC1(c2ccc3c(c2)OC(F)(F)O3)CCCC1.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine?
The InChIKey is QQBPMFZHIBMKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-12(14)16-9-4-3-8(7-10(9)17-12)11(15)5-1-2-6-11/h3-4,7H,1-2,5-6,15H2.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine has a molecular weight of 241.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine is sourced from PubChem (CID 117354591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).