[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine

C14H17F2NO2 — CID 117426300

IUPAC[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine
SMILESNCC1(c2cc(C(F)F)cc3c2OCO3)CCCC1
InChIInChI=1S/C14H17F2NO2/c15-13(16)9-5-10(12-11(6-9)18-8-19-12)14(7-17)3-1-2-4-14/h5-6,13H,1-4,7-8,17H2
InChIKeyNVNOPDOVFRWYLP-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.12
Rot. Bonds3

About [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine

[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine (PubChem CID 117426300) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine
PubChem CID117426300
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine
SMILESNCC1(c2cc(C(F)F)cc3c2OCO3)CCCC1
InChIInChI=1S/C14H17F2NO2/c15-13(16)9-5-10(12-11(6-9)18-8-19-12)14(7-17)3-1-2-4-14/h5-6,13H,1-4,7-8,17H2
InChIKeyNVNOPDOVFRWYLP-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclohexyl]-4-fluoro-1,3-benzodioxol-5-ol
CID 117421572
[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117346782
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopentan-1-amine
CID 117426242
[1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]cyclopropyl]methanamine
CID 117390776
[1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496963
[1-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496965
[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
CID 117369663
[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452651
[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117451462
4-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]butan-1-amine
CID 117359470
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080
[1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117387232

Frequently Asked Questions

What is the IUPAC name of [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine (CID 117426300) is [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine is NCC1(c2cc(C(F)F)cc3c2OCO3)CCCC1.
What is the InChIKey of [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine?
The InChIKey is NVNOPDOVFRWYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-13(16)9-5-10(12-11(6-9)18-8-19-12)14(7-17)3-1-2-4-14/h5-6,13H,1-4,7-8,17H2.
What are the key properties of [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine?
[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine has a molecular weight of 269.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine is sourced from PubChem (CID 117426300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).