[6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine

C14H11F2NO2 — CID 12002138

IUPAC[6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine
SMILESNCC1Oc2cc(F)cc(-c3ccccc3F)c2O1
InChIInChI=1S/C14H11F2NO2/c15-8-5-10(9-3-1-2-4-11(9)16)14-12(6-8)18-13(7-17)19-14/h1-6,13H,7,17H2
InChIKeyNQQMQEIWOISILF-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.69
Rot. Bonds2

About [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine

[6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine (PubChem CID 12002138) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine.

Molecular Properties

Compound Name[6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine
PubChem CID12002138
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine
SMILESNCC1Oc2cc(F)cc(-c3ccccc3F)c2O1
InChIInChI=1S/C14H11F2NO2/c15-8-5-10(9-3-1-2-4-11(9)16)14-12(6-8)18-13(7-17)19-14/h1-6,13H,7,17H2
InChIKeyNQQMQEIWOISILF-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzo[1,3]dioxol-5-yl-4-phenyl-butylamine
CID 3137719
{2-[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]ethyl}amine hydrochloride
CID 16109477
3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-propylamine
CID 3137710
2-[2-[2-(1,3-Benzodioxol-4-yl)ethyl]phenyl]ethanamine
CID 129844568
4-(4-Methyl-1,3-benzodioxol-2-yl)butan-1-amine
CID 132276854
3-[2-(1,3-benzodioxol-5-yl)phenoxy]-N-methylpropan-1-amine
CID 56709808
2-(6-Fluorochroman-8-yloxy)ethylamine
CID 10512677
[7-(2,3-Dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11381133
2-[(5-Fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine
CID 11401340
[6-Fluoro-4-(2-methoxyphenyl)-1,3-benzodioxol-2-yl]methanamine
CID 12002131
(6-Fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine
CID 12002132
[4-(3-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002133

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine?
The IUPAC name of [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine (CID 12002138) is [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine.
What is the SMILES notation for [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine?
The canonical SMILES for [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine is NCC1Oc2cc(F)cc(-c3ccccc3F)c2O1.
What is the InChIKey of [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine?
The InChIKey is NQQMQEIWOISILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-8-5-10(9-3-1-2-4-11(9)16)14-12(6-8)18-13(7-17)19-14/h1-6,13H,7,17H2.
What are the key properties of [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine?
[6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine has a molecular weight of 263.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine is sourced from PubChem (CID 12002138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).