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

C10H20F3NO — CID 62272397

IUPAC2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(5-2,8-15)6-14(3)7-10(11,12)13/h15H,4-8H2,1-3H3
InChIKeyVMRVNAHOQWFSDO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.28
Rot. Bonds6

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

2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol (PubChem CID 62272397) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol
PubChem CID62272397
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(5-2,8-15)6-14(3)7-10(11,12)13/h15H,4-8H2,1-3H3
InChIKeyVMRVNAHOQWFSDO-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol (CID 62272397) is 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CN(C)CC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol?
The InChIKey is VMRVNAHOQWFSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-9(5-2,8-15)6-14(3)7-10(11,12)13/h15H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 62272397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).