[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine

C10H10F3NO2 — CID 84696406

IUPAC[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine
SMILESNCc1c(C(F)(F)F)ccc2c1OCCO2
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-1-2-8-9(6(7)5-14)16-4-3-15-8/h1-2H,3-5,14H2
InChIKeyCGSRJTJPJDFFEU-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.94
Rot. Bonds1

About [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine

[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine (PubChem CID 84696406) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine.

Molecular Properties

Compound Name[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine
PubChem CID84696406
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine
SMILESNCc1c(C(F)(F)F)ccc2c1OCCO2
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-1-2-8-9(6(7)5-14)16-4-3-15-8/h1-2H,3-5,14H2
InChIKeyCGSRJTJPJDFFEU-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-amine
CID 117406699
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanal
CID 117404235
3-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 117470303
2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
CID 84711051
N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine
CID 84696405
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]butanal
CID 117437879
O-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117288202
2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol
CID 84706927
2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117463427
5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxine-8-carbaldehyde
CID 84695335
[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine
CID 123938398

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine?
The IUPAC name of [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine (CID 84696406) is [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine.
What is the SMILES notation for [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine?
The canonical SMILES for [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine is NCc1c(C(F)(F)F)ccc2c1OCCO2.
What is the InChIKey of [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine?
The InChIKey is CGSRJTJPJDFFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)7-1-2-8-9(6(7)5-14)16-4-3-15-8/h1-2H,3-5,14H2.
What are the key properties of [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine?
[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine has a molecular weight of 233.19 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine is sourced from PubChem (CID 84696406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).