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

C14H34F3NO2 — CID 163278622

IUPAC2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane
SMILESCC.CC.CC.NC(CCOCCO)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2.3C2H6/c9-8(10,11)3-1-7(12)2-5-14-6-4-13;3*1-2/h7,13H,1-6,12H2;3*1-2H3
InChIKeyRFPXTLCAJFQSLR-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.13
Rot. Bonds7

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

2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane (PubChem CID 163278622) has the molecular formula C14H34F3NO2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane.

Molecular Properties

Compound Name2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane
PubChem CID163278622
Molecular FormulaC14H34F3NO2
Molecular Weight305.43 g/mol
Exact Mass305.25
IUPAC Name2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane
SMILESCC.CC.CC.NC(CCOCCO)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2.3C2H6/c9-8(10,11)3-1-7(12)2-5-14-6-4-13;3*1-2/h7,13H,1-6,12H2;3*1-2H3
InChIKeyRFPXTLCAJFQSLR-UHFFFAOYSA-N
XLogP4.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.13
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;ethane?
The IUPAC name of 2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane (CID 163278622) is 2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane.
What is the SMILES notation for 2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane?
The canonical SMILES for 2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane is CC.CC.CC.NC(CCOCCO)CCC(F)(F)F.
What is the InChIKey of 2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane?
The InChIKey is RFPXTLCAJFQSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2.3C2H6/c9-8(10,11)3-1-7(12)2-5-14-6-4-13;3*1-2/h7,13H,1-6,12H2;3*1-2H3.
What are the key properties of 2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane?
2-(3-amino-6,6,6-trifluorohexoxy)ethanol;ethane has a molecular weight of 305.43 g/mol, XLogP of 4.13, 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;ethane is sourced from PubChem (CID 163278622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).