2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol

C14H27F3N2O — CID 81419405

IUPAC2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-13(4-2,11-20)9-18-7-12-5-6-19(8-12)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyDTKVHQCAYRSVFK-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.26
Rot. Bonds8

About 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol

2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol (PubChem CID 81419405) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol
PubChem CID81419405
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-13(4-2,11-20)9-18-7-12-5-6-19(8-12)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyDTKVHQCAYRSVFK-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol (CID 81419405) is 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol?
The InChIKey is DTKVHQCAYRSVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-13(4-2,11-20)9-18-7-12-5-6-19(8-12)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol?
2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol has a molecular weight of 296.38 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol is sourced from PubChem (CID 81419405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).