4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol

C8H13F6NO2 — CID 146356664

IUPAC4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol
SMILESCN(CCO)CC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO2/c1-15(2-3-16)4-5(17)6(7(9,10)11)8(12,13)14/h5-6,16-17H,2-4H2,1H3
InChIKeySDSVYTKCNQXHSC-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.01
Rot. Bonds5

About 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol

4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol (PubChem CID 146356664) has the molecular formula C8H13F6NO2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol
PubChem CID146356664
Molecular FormulaC8H13F6NO2
Molecular Weight269.19 g/mol
Exact Mass269.09
IUPAC Name4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol
SMILESCN(CCO)CC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO2/c1-15(2-3-16)4-5(17)6(7(9,10)11)8(12,13)14/h5-6,16-17H,2-4H2,1H3
InChIKeySDSVYTKCNQXHSC-UHFFFAOYSA-N
XLogP1.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol (CID 146356664) is 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol is CN(CCO)CC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol?
The InChIKey is SDSVYTKCNQXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO2/c1-15(2-3-16)4-5(17)6(7(9,10)11)8(12,13)14/h5-6,16-17H,2-4H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol?
4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol has a molecular weight of 269.19 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 146356664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).