2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol

C7H14F3NO — CID 60685882

IUPAC2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol
SMILESCCN(CCO)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-11(5-6-12)4-3-7(8,9)10/h12H,2-6H2,1H3
InChIKeyQQJKHZNCGXVFMG-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.25
Rot. Bonds5

About 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol

2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol (PubChem CID 60685882) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol
PubChem CID60685882
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol
SMILESCCN(CCO)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-11(5-6-12)4-3-7(8,9)10/h12H,2-6H2,1H3
InChIKeyQQJKHZNCGXVFMG-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol?
The IUPAC name of 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol (CID 60685882) is 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol?
The canonical SMILES for 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol is CCN(CCO)CCC(F)(F)F.
What is the InChIKey of 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol?
The InChIKey is QQJKHZNCGXVFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-2-11(5-6-12)4-3-7(8,9)10/h12H,2-6H2,1H3.
What are the key properties of 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol?
2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol has a molecular weight of 185.19 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol is sourced from PubChem (CID 60685882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).