1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine

C7H14F3NO3 — CID 82711021

IUPAC1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCOC(OC)C(C)NOCC(F)(F)F
InChIInChI=1S/C7H14F3NO3/c1-5(6(12-2)13-3)11-14-4-7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyXGCMWXUBSZJSMX-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.08
Rot. Bonds6

About 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine

1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 82711021) has the molecular formula C7H14F3NO3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID82711021
Molecular FormulaC7H14F3NO3
Molecular Weight217.19 g/mol
Exact Mass217.09
IUPAC Name1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCOC(OC)C(C)NOCC(F)(F)F
InChIInChI=1S/C7H14F3NO3/c1-5(6(12-2)13-3)11-14-4-7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyXGCMWXUBSZJSMX-UHFFFAOYSA-N
XLogP1.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine (CID 82711021) is 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine is COC(OC)C(C)NOCC(F)(F)F.
What is the InChIKey of 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is XGCMWXUBSZJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3/c1-5(6(12-2)13-3)11-14-4-7(8,9)10/h5-6,11H,4H2,1-3H3.
What are the key properties of 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine?
1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 217.19 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 82711021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).