2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol

C10H20F3NO — CID 103864897

IUPAC2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,3)4-5-14(6-7-15)8-10(11,12)13/h15H,4-8H2,1-3H3
InChIKeyUOPOFMHGECJMKQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.28
Rot. Bonds5

About 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol

2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864897) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864897
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,3)4-5-14(6-7-15)8-10(11,12)13/h15H,4-8H2,1-3H3
InChIKeyUOPOFMHGECJMKQ-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103864897) is 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol is CC(C)(C)CCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is UOPOFMHGECJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2,3)4-5-14(6-7-15)8-10(11,12)13/h15H,4-8H2,1-3H3.
What are the key properties of 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 227.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).