methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate

C10H11FO4 — CID 117305027

IUPACmethyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(CF)ccc1O
InChIInChI=1S/C10H11FO4/c1-15-10(14)9(13)7-4-6(5-11)2-3-8(7)12/h2-4,9,12-13H,5H2,1H3
InChIKeyKBXFUFYWGWZPNQ-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.07
Rot. Bonds3

About methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate

methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate (PubChem CID 117305027) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate
PubChem CID117305027
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Namemethyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(CF)ccc1O
InChIInChI=1S/C10H11FO4/c1-15-10(14)9(13)7-4-6(5-11)2-3-8(7)12/h2-4,9,12-13H,5H2,1H3
InChIKeyKBXFUFYWGWZPNQ-UHFFFAOYSA-N
XLogP1.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
CID 117332045
methyl 2-hydroxy-2-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)acetate
CID 117378924
methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate
CID 117421323
methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117289036
methyl 2-(3-bromo-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466749
methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate
CID 117357005
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029
methyl 2-(5-bromo-2,4-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117495752

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate (CID 117305027) is methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate is COC(=O)C(O)c1cc(CF)ccc1O.
What is the InChIKey of methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate?
The InChIKey is KBXFUFYWGWZPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-15-10(14)9(13)7-4-6(5-11)2-3-8(7)12/h2-4,9,12-13H,5H2,1H3.
What are the key properties of methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate?
methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate has a molecular weight of 214.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate is sourced from PubChem (CID 117305027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).