N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine

C7H14F3NO2 — CID 58168570

IUPACN-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine
SMILESCOC(CNCCC(F)(F)F)OC
InChIInChI=1S/C7H14F3NO2/c1-12-6(13-2)5-11-4-3-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyLJSZDESXNJLXCT-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.15
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine

N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 58168570) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID58168570
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC NameN-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine
SMILESCOC(CNCCC(F)(F)F)OC
InChIInChI=1S/C7H14F3NO2/c1-12-6(13-2)5-11-4-3-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyLJSZDESXNJLXCT-UHFFFAOYSA-N
XLogP1.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine (CID 58168570) is N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine is COC(CNCCC(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is LJSZDESXNJLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-12-6(13-2)5-11-4-3-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine?
N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 201.19 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 58168570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).