2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine

C14H16F3NO2 — CID 117463453

IUPAC2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine
SMILESCC1(c2cc3c(cc2C(F)(F)F)OCCO3)CCCN1
InChIInChI=1S/C14H16F3NO2/c1-13(3-2-4-18-13)9-7-11-12(20-6-5-19-11)8-10(9)14(15,16)17/h7-8,18H,2-6H2,1H3
InChIKeyULMDEXUBHDQTFF-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.08
Rot. Bonds1

About 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine

2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine (PubChem CID 117463453) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine
PubChem CID117463453
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine
SMILESCC1(c2cc3c(cc2C(F)(F)F)OCCO3)CCCN1
InChIInChI=1S/C14H16F3NO2/c1-13(3-2-4-18-13)9-7-11-12(20-6-5-19-11)8-10(9)14(15,16)17/h7-8,18H,2-6H2,1H3
InChIKeyULMDEXUBHDQTFF-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine?
The IUPAC name of 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine (CID 117463453) is 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine.
What is the SMILES notation for 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine?
The canonical SMILES for 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine is CC1(c2cc3c(cc2C(F)(F)F)OCCO3)CCCN1.
What is the InChIKey of 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine?
The InChIKey is ULMDEXUBHDQTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-13(3-2-4-18-13)9-7-11-12(20-6-5-19-11)8-10(9)14(15,16)17/h7-8,18H,2-6H2,1H3.
What are the key properties of 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine?
2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine has a molecular weight of 287.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine is sourced from PubChem (CID 117463453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).