2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol

C12H24F3NO — CID 62270233

IUPAC2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3NO/c1-5-11(6-2,9-17)7-16(10(3)4)8-12(13,14)15/h10,17H,5-9H2,1-4H3
InChIKeyDAOFWDFWBBDXRP-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.06
Rot. Bonds7

About 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol

2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol (PubChem CID 62270233) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol
PubChem CID62270233
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3NO/c1-5-11(6-2,9-17)7-16(10(3)4)8-12(13,14)15/h10,17H,5-9H2,1-4H3
InChIKeyDAOFWDFWBBDXRP-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol (CID 62270233) is 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol?
The InChIKey is DAOFWDFWBBDXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-11(6-2,9-17)7-16(10(3)4)8-12(13,14)15/h10,17H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 62270233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).