2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine

C11H20F3NO2 — CID 106658934

IUPAC2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCCCC(F)(F)F)CO1
InChIInChI=1S/C11H20F3NO2/c1-10(2)16-7-9(8-17-10)15-6-4-3-5-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyMGZYARTUGVKBON-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.46
Rot. Bonds5

About 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine (PubChem CID 106658934) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine
PubChem CID106658934
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCCCC(F)(F)F)CO1
InChIInChI=1S/C11H20F3NO2/c1-10(2)16-7-9(8-17-10)15-6-4-3-5-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyMGZYARTUGVKBON-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine (CID 106658934) is 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine is CC1(C)OCC(NCCCCC(F)(F)F)CO1.
What is the InChIKey of 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine?
The InChIKey is MGZYARTUGVKBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-10(2)16-7-9(8-17-10)15-6-4-3-5-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine has a molecular weight of 255.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 106658934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).