methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate

C10H11FO3 — CID 117287616

IUPACmethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccccc1CF
InChIInChI=1S/C10H11FO3/c1-14-10(13)9(12)8-5-3-2-4-7(8)6-11/h2-5,9,12H,6H2,1H3
InChIKeyQRKHUGAIMWUDAQ-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.36
Rot. Bonds3

About methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate

methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate (PubChem CID 117287616) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
PubChem CID117287616
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namemethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccccc1CF
InChIInChI=1S/C10H11FO3/c1-14-10(13)9(12)8-5-3-2-4-7(8)6-11/h2-5,9,12H,6H2,1H3
InChIKeyQRKHUGAIMWUDAQ-UHFFFAOYSA-N
XLogP1.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate
CID 117325267
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate
CID 42600773
methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate
CID 117446352
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate
CID 86754441
methyl 2-hydroxy-2-[2-(2-hydroxypropan-2-yl)phenyl]acetate
CID 117108610
methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate
CID 171864626
methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate
CID 117357005
methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate
CID 138394699
2-[2-(fluoromethyl)phenyl]propanoic acid
CID 18434881

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate (CID 117287616) is methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate is COC(=O)C(O)c1ccccc1CF.
What is the InChIKey of methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate?
The InChIKey is QRKHUGAIMWUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-14-10(13)9(12)8-5-3-2-4-7(8)6-11/h2-5,9,12H,6H2,1H3.
What are the key properties of methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate?
methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate has a molecular weight of 198.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117287616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).