2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol

C11H22F3NO — CID 62271117

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN(CC)CC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-6-10(3,9-16)7-15(5-2)8-11(12,13)14/h16H,4-9H2,1-3H3
InChIKeyQZXCWTZBYBWYIE-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.67
Rot. Bonds7

About 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol (PubChem CID 62271117) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol
PubChem CID62271117
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN(CC)CC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-6-10(3,9-16)7-15(5-2)8-11(12,13)14/h16H,4-9H2,1-3H3
InChIKeyQZXCWTZBYBWYIE-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol (CID 62271117) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN(CC)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol?
The InChIKey is QZXCWTZBYBWYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-6-10(3,9-16)7-15(5-2)8-11(12,13)14/h16H,4-9H2,1-3H3.
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol has a molecular weight of 241.30 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol is sourced from PubChem (CID 62271117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).