2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol

C11H16F9NO2 — CID 145366150

IUPAC2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol
SMILESCCN(CCO)C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C11H16F9NO2/c1-2-21(3-4-22)8(13)10(16,17)6-23-5-9(14,15)7(12)11(18,19)20/h7-8,22H,2-6H2,1H3
InChIKeyAOUMVWPXIQZESW-UHFFFAOYSA-N
MW365.24 g/mol
LogP2.78
Rot. Bonds10

About 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol

2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol (PubChem CID 145366150) has the molecular formula C11H16F9NO2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol
PubChem CID145366150
Molecular FormulaC11H16F9NO2
Molecular Weight365.24 g/mol
Exact Mass365.10
IUPAC Name2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol
SMILESCCN(CCO)C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C11H16F9NO2/c1-2-21(3-4-22)8(13)10(16,17)6-23-5-9(14,15)7(12)11(18,19)20/h7-8,22H,2-6H2,1H3
InChIKeyAOUMVWPXIQZESW-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol (CID 145366150) is 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol is CCN(CCO)C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol?
The InChIKey is AOUMVWPXIQZESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F9NO2/c1-2-21(3-4-22)8(13)10(16,17)6-23-5-9(14,15)7(12)11(18,19)20/h7-8,22H,2-6H2,1H3.
What are the key properties of 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol?
2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol has a molecular weight of 365.24 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]amino]ethanol is sourced from PubChem (CID 145366150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).