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

C14H15F3O4 — CID 102173227

IUPACmethyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(C[C@@](O)(C(=O)OC)C(F)(F)F)c1ccccc1OC
InChIInChI=1S/C14H15F3O4/c1-9(10-6-4-5-7-11(10)20-2)8-13(19,12(18)21-3)14(15,16)17/h4-7,19H,1,8H2,2-3H3/t13-/m1/s1
InChIKeyCMNUVYRJWUFPSA-CYBMUJFWSA-N
MW304.26 g/mol
LogP2.56
Rot. Bonds5

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

methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate (PubChem CID 102173227) has the molecular formula C14H15F3O4 and a molecular weight of 304.26 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
PubChem CID102173227
Molecular FormulaC14H15F3O4
Molecular Weight304.26 g/mol
Exact Mass304.09
IUPAC Namemethyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(C[C@@](O)(C(=O)OC)C(F)(F)F)c1ccccc1OC
InChIInChI=1S/C14H15F3O4/c1-9(10-6-4-5-7-11(10)20-2)8-13(19,12(18)21-3)14(15,16)17/h4-7,19H,1,8H2,2-3H3/t13-/m1/s1
InChIKeyCMNUVYRJWUFPSA-CYBMUJFWSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate?
The IUPAC name of methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate (CID 102173227) is methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate?
The canonical SMILES for methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate is C=C(C[C@@](O)(C(=O)OC)C(F)(F)F)c1ccccc1OC.
What is the InChIKey of methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate?
The InChIKey is CMNUVYRJWUFPSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15F3O4/c1-9(10-6-4-5-7-11(10)20-2)8-13(19,12(18)21-3)14(15,16)17/h4-7,19H,1,8H2,2-3H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate?
methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate has a molecular weight of 304.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-4-(2-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate is sourced from PubChem (CID 102173227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).