1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one

C9H16F3NO2 — CID 107481284

IUPAC1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(2)8(15)5-13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyGSQILAAJOUFANY-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.07
Rot. Bonds6

About 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one

1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one (PubChem CID 107481284) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one
PubChem CID107481284
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(2)8(15)5-13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyGSQILAAJOUFANY-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485821
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide
CID 103864920
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004
2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484808
methyl 4-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]butanoate
CID 103864914
2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620
4-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]butanoic acid
CID 107485886
1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one
CID 107481303
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
CID 107485826
(2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 97245219
2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107481342

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one (CID 107481284) is 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one is CC(C)C(=O)CN(CCO)CC(F)(F)F.
What is the InChIKey of 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one?
The InChIKey is GSQILAAJOUFANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(2)8(15)5-13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one?
1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one has a molecular weight of 227.23 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 107481284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).