methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate

C8H11F3O3 — CID 26985843

IUPACmethyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(C)C[C@@](O)(C(=O)OC)C(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-5(2)4-7(13,6(12)14-3)8(9,10)11/h13H,1,4H2,2-3H3/t7-/m1/s1
InChIKeyHMDKXEVTOYZRSE-SSDOTTSWSA-N
MW212.17 g/mol
LogP1.42
Rot. Bonds3

About methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate

methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate (PubChem CID 26985843) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
PubChem CID26985843
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Namemethyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(C)C[C@@](O)(C(=O)OC)C(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-5(2)4-7(13,6(12)14-3)8(9,10)11/h13H,1,4H2,2-3H3/t7-/m1/s1
InChIKeyHMDKXEVTOYZRSE-SSDOTTSWSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-4-methoxy-2-(trifluoromethyl)pent-4-enoate
CID 162536869
methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate
CID 177459187
methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
CID 102173229
dimethyl 2-ethyl-2-(2-methylprop-2-enyl)propanedioate
CID 59309466
ethyl 2-hydroxy-5-methyl-4-methylidene-2-(trifluoromethyl)hexanoate
CID 162537757
ethyl (2S)-2-hydroxy-6,6-dimethyl-4-methylidene-2-(trifluoromethyl)heptanoate
CID 134964588
2-methylprop-2-enyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 164845167
methyl (2S)-2-hydroxy-4-(4-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoate
CID 7405872
dimethyl 2-(2-methylprop-2-enyl)-2-pent-2-ynylpropanedioate
CID 11161087
methyl 4-(3-chloro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
CID 5235209
methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
CID 4765003
ethyl (2R)-2-(difluoromethyl)-2-hydroxy-4-methylpent-4-enoate
CID 122392013

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate?
The IUPAC name of methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate (CID 26985843) is methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate?
The canonical SMILES for methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate is C=C(C)C[C@@](O)(C(=O)OC)C(F)(F)F.
What is the InChIKey of methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate?
The InChIKey is HMDKXEVTOYZRSE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F3O3/c1-5(2)4-7(13,6(12)14-3)8(9,10)11/h13H,1,4H2,2-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate?
methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate has a molecular weight of 212.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate is sourced from PubChem (CID 26985843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).