1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol

C8H16F3NO4 — CID 118166078

IUPAC1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol
SMILESCC(O)C(N)OCCOCCOC(F)(F)F
InChIInChI=1S/C8H16F3NO4/c1-6(13)7(12)15-4-2-14-3-5-16-8(9,10)11/h6-7,13H,2-5,12H2,1H3
InChIKeyQLWZQDMPPHCLNO-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.22
Rot. Bonds8

About 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol

1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol (PubChem CID 118166078) has the molecular formula C8H16F3NO4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol
PubChem CID118166078
Molecular FormulaC8H16F3NO4
Molecular Weight247.21 g/mol
Exact Mass247.10
IUPAC Name1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol
SMILESCC(O)C(N)OCCOCCOC(F)(F)F
InChIInChI=1S/C8H16F3NO4/c1-6(13)7(12)15-4-2-14-3-5-16-8(9,10)11/h6-7,13H,2-5,12H2,1H3
InChIKeyQLWZQDMPPHCLNO-UHFFFAOYSA-N
XLogP0.22
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol (CID 118166078) is 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol is CC(O)C(N)OCCOCCOC(F)(F)F.
What is the InChIKey of 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol?
The InChIKey is QLWZQDMPPHCLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO4/c1-6(13)7(12)15-4-2-14-3-5-16-8(9,10)11/h6-7,13H,2-5,12H2,1H3.
What are the key properties of 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol?
1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol has a molecular weight of 247.21 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 118166078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).