2-(3-amino-6,6,6-trifluorohexoxy)ethanol

C8H16F3NO2 — CID 163278325

IUPAC2-(3-amino-6,6,6-trifluorohexoxy)ethanol
SMILESNC(CCOCCO)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c9-8(10,11)3-1-7(12)2-5-14-6-4-13/h7,13H,1-6,12H2
InChIKeySNEYZIZYFNGCEA-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.06
Rot. Bonds7

About 2-(3-amino-6,6,6-trifluorohexoxy)ethanol

2-(3-amino-6,6,6-trifluorohexoxy)ethanol (PubChem CID 163278325) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(3-amino-6,6,6-trifluorohexoxy)ethanol.

Molecular Properties

Compound Name2-(3-amino-6,6,6-trifluorohexoxy)ethanol
PubChem CID163278325
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name2-(3-amino-6,6,6-trifluorohexoxy)ethanol
SMILESNC(CCOCCO)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c9-8(10,11)3-1-7(12)2-5-14-6-4-13/h7,13H,1-6,12H2
InChIKeySNEYZIZYFNGCEA-UHFFFAOYSA-N
XLogP1.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
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-(3-amino-6,6,6-trifluorohexoxy)ethanol?
The IUPAC name of 2-(3-amino-6,6,6-trifluorohexoxy)ethanol (CID 163278325) is 2-(3-amino-6,6,6-trifluorohexoxy)ethanol.
What is the SMILES notation for 2-(3-amino-6,6,6-trifluorohexoxy)ethanol?
The canonical SMILES for 2-(3-amino-6,6,6-trifluorohexoxy)ethanol is NC(CCOCCO)CCC(F)(F)F.
What is the InChIKey of 2-(3-amino-6,6,6-trifluorohexoxy)ethanol?
The InChIKey is SNEYZIZYFNGCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c9-8(10,11)3-1-7(12)2-5-14-6-4-13/h7,13H,1-6,12H2.
What are the key properties of 2-(3-amino-6,6,6-trifluorohexoxy)ethanol?
2-(3-amino-6,6,6-trifluorohexoxy)ethanol has a molecular weight of 215.21 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6,6,6-trifluorohexoxy)ethanol is sourced from PubChem (CID 163278325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).