methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate

C10H8ClF3O3 — CID 117424988

IUPACmethyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H8ClF3O3/c1-17-9(16)8(15)6-4-5(10(12,13)14)2-3-7(6)11/h2-4,8,15H,1H3
InChIKeyUMSQHNDPPUTJJU-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.57
Rot. Bonds2

About methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate

methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate (PubChem CID 117424988) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
PubChem CID117424988
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Namemethyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H8ClF3O3/c1-17-9(16)8(15)6-4-5(10(12,13)14)2-3-7(6)11/h2-4,8,15H,1H3
InChIKeyUMSQHNDPPUTJJU-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanoate
CID 171242862
methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117308533
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
3-[2-chloro-5-(trifluoromethyl)phenyl]-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164893310
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108717
(1R,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171160035
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989
methyl 3-[2-bromo-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171865308
3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 170875799
2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
CID 118813097
methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 110604261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate (CID 117424988) is methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate is COC(=O)C(O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The InChIKey is UMSQHNDPPUTJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-17-9(16)8(15)6-4-5(10(12,13)14)2-3-7(6)11/h2-4,8,15H,1H3.
What are the key properties of methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate?
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate has a molecular weight of 268.62 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117424988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).