3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol

C9H18F3NO — CID 106285280

IUPAC3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-7(4-2)8(14)5-13-6-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyPJSDSUWIKUWSNO-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.94
Rot. Bonds6

About 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol

3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol (PubChem CID 106285280) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol
PubChem CID106285280
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-7(4-2)8(14)5-13-6-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyPJSDSUWIKUWSNO-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-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 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol (CID 106285280) is 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol is CCC(CC)C(O)CNCC(F)(F)F.
What is the InChIKey of 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol?
The InChIKey is PJSDSUWIKUWSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-7(4-2)8(14)5-13-6-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol?
3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol is sourced from PubChem (CID 106285280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).