2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol

C12H24F3NO2 — CID 106256437

IUPAC2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-3-11(4-2,9-17)8-16-6-5-7-18-10-12(13,14)15/h16-17H,3-10H2,1-2H3
InChIKeyBQXYLJWGLVMQEN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.34
Rot. Bonds10

About 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol

2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol (PubChem CID 106256437) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol
PubChem CID106256437
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Name2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-3-11(4-2,9-17)8-16-6-5-7-18-10-12(13,14)15/h16-17H,3-10H2,1-2H3
InChIKeyBQXYLJWGLVMQEN-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butan-1-ol
CID 62517611
3-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]pentan-3-ol
CID 65111828
3-Methyl-4-[3-(2,2,2-trifluoroethoxy)propylamino]butan-1-ol
CID 66090440
3-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]pentan-1-ol
CID 80289145
2-Methyl-2-[(2,2,2-trifluoroethylamino)methyl]butan-1-ol
CID 81411677
2-Ethyl-2-[(2,2,2-trifluoroethylamino)methyl]butan-1-ol
CID 81411678
2-Methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419256
2-Ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419359
2-Methyl-2-[(3,3,3-trifluoropropylamino)methyl]butan-1-ol
CID 81419844
2-Ethyl-2-[(3,3,3-trifluoropropylamino)methyl]butan-1-ol
CID 81419946
3-(3,3-Dimethylbutylamino)-2,2-difluoropropan-1-ol
CID 102673319
3-Methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 103774803

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol (CID 106256437) is 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCCCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol?
The InChIKey is BQXYLJWGLVMQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-3-11(4-2,9-17)8-16-6-5-7-18-10-12(13,14)15/h16-17H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol?
2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol has a molecular weight of 271.32 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol is sourced from PubChem (CID 106256437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).