2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol

C9H19F3N2O — CID 61424874

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol
SMILESCCCN(CCO)C(CCN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-5-14(6-7-15)8(3-4-13)9(10,11)12/h8,15H,2-7,13H2,1H3
InChIKeyDNFZIINPCZUKIJ-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds7

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol (PubChem CID 61424874) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol
PubChem CID61424874
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol
SMILESCCCN(CCO)C(CCN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-5-14(6-7-15)8(3-4-13)9(10,11)12/h8,15H,2-7,13H2,1H3
InChIKeyDNFZIINPCZUKIJ-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol 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 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol (CID 61424874) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol is CCCN(CCO)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol?
The InChIKey is DNFZIINPCZUKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-2-5-14(6-7-15)8(3-4-13)9(10,11)12/h8,15H,2-7,13H2,1H3.
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-propylamino]ethanol is sourced from PubChem (CID 61424874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).