2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol

C9H18F3NO2 — CID 63900668

IUPAC2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
SMILESCCC(CC)(CO)NCC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-3-8(4-2,6-14)13-5-7(15)9(10,11)12/h7,13-15H,3-6H2,1-2H3
InChIKeyODWYWVIBOFYDMC-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.05
Rot. Bonds6

About 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol

2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol (PubChem CID 63900668) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
PubChem CID63900668
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
SMILESCCC(CC)(CO)NCC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-3-8(4-2,6-14)13-5-7(15)9(10,11)12/h7,13-15H,3-6H2,1-2H3
InChIKeyODWYWVIBOFYDMC-UHFFFAOYSA-N
XLogP1.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol (CID 63900668) is 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol is CCC(CC)(CO)NCC(O)C(F)(F)F.
What is the InChIKey of 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The InChIKey is ODWYWVIBOFYDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-3-8(4-2,6-14)13-5-7(15)9(10,11)12/h7,13-15H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol is sourced from PubChem (CID 63900668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).