ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate

C7H11F3O3 — CID 23635695

IUPACethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate
SMILESCCOC(=O)[C@](O)(CC)C(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-3-6(12,7(8,9)10)5(11)13-4-2/h12H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyDZSLKSOMGLWOLY-ZCFIWIBFSA-N
MW200.16 g/mol
LogP1.25
Rot. Bonds3

About ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate

ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate (PubChem CID 23635695) has the molecular formula C7H11F3O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate
PubChem CID23635695
Molecular FormulaC7H11F3O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Nameethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate
SMILESCCOC(=O)[C@](O)(CC)C(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-3-6(12,7(8,9)10)5(11)13-4-2/h12H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyDZSLKSOMGLWOLY-ZCFIWIBFSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-hydroxy-2-methylbutyrate
CID 101536
Methyl 2-hydroxy-2-methylbutanoate
CID 520593
Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 10867048
Ethyl 2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropionate
CID 13384220
2-Hydroxy-2-(trifluoromethyl)butyric acid
CID 2775113
Methyl 3-fluoro-2-hydroxy-3-methylbutanoate
CID 15136874
2-[(1,1,1-Trifluoro-2-methylpropan-2-yl)oxy]acetic acid
CID 86635123
4,4,4-Trifluoro-2-hydroxy-2-methylbutanoic acid
CID 87600781
2-Methyl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 89686659
4,4-Difluoro-2-hydroxy-2-methylbutanoic acid
CID 129994633
Methyl 4,4-difluoro-2-hydroxybutanoate
CID 165630363
(2S)-2-hydroxy-2-(trifluoromethyl)butanoic acid
CID 7019024

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate (CID 23635695) is ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate is CCOC(=O)[C@](O)(CC)C(F)(F)F.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate?
The InChIKey is DZSLKSOMGLWOLY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11F3O3/c1-3-6(12,7(8,9)10)5(11)13-4-2/h12H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate?
ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate has a molecular weight of 200.16 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 23635695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).