[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine

C11H11F2NO2 — CID 126845017

IUPAC[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine
SMILESNCC1C(c2ccc3c(c2)OCO3)C1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)7(4-14)10(11)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10H,4-5,14H2
InChIKeyAEWZTAUXRGWYSR-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.72
Rot. Bonds2

About [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine

[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine (PubChem CID 126845017) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine
PubChem CID126845017
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine
SMILESNCC1C(c2ccc3c(c2)OCO3)C1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)7(4-14)10(11)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10H,4-5,14H2
InChIKeyAEWZTAUXRGWYSR-UHFFFAOYSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197766
3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropane-1-carbonitrile
CID 66748443
cis-(1R,3S)-3-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropan-1-amine
CID 178199727
[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 62709080
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997
[(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
CID 69207176
(1R,6S)-6-(1,3-benzodioxol-5-yl)cyclohex-3-en-1-amine;hydrochloride
CID 131875726
[2-(1,3-benzodioxol-5-yl)-3-ethylsulfonylcyclopropyl]methanamine
CID 102569457
1-(aminomethyl)-2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 102569487
[4-(1,3-benzodioxol-5-yl)-1-methylpiperidin-3-yl]methanamine
CID 82623063
(4R,5R)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)cyclopent-2-ene-1,1,3-tricarbonitrile
CID 12033273
[2-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 102569528

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine?
The IUPAC name of [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine (CID 126845017) is [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine?
The canonical SMILES for [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine is NCC1C(c2ccc3c(c2)OCO3)C1(F)F.
What is the InChIKey of [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine?
The InChIKey is AEWZTAUXRGWYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-11(13)7(4-14)10(11)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10H,4-5,14H2.
What are the key properties of [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine?
[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine has a molecular weight of 227.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine is sourced from PubChem (CID 126845017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).