2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol

C8H17F3N2O — CID 61424925

IUPAC2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol
SMILESCCCN(CCO)C(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-2-3-13(4-5-14)7(6-12)8(9,10)11/h7,14H,2-6,12H2,1H3
InChIKeyKRVGCSQSRXRVGJ-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds6

About 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol

2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol (PubChem CID 61424925) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol
PubChem CID61424925
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol
SMILESCCCN(CCO)C(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-2-3-13(4-5-14)7(6-12)8(9,10)11/h7,14H,2-6,12H2,1H3
InChIKeyKRVGCSQSRXRVGJ-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-1,1,1-trifluoropropan-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-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol?
The IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol (CID 61424925) is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol is CCCN(CCO)C(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol?
The InChIKey is KRVGCSQSRXRVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-2-3-13(4-5-14)7(6-12)8(9,10)11/h7,14H,2-6,12H2,1H3.
What are the key properties of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol?
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propylamino]ethanol is sourced from PubChem (CID 61424925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).