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

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Related Compounds

2-ethyl-2-[[methyl(propyl)amino]methyl]butan-1-ol
CID 62270573
2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol
CID 79859400
2-ethyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]butan-1-ol
CID 81074442
2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 62271084
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
CID 62272431
2-[(dimethylamino)methyl]-2-ethylpentan-1-ol
CID 170388129
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214

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).