methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate

C10H8ClF3O3 — CID 117108717

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

About methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate

methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate (PubChem CID 117108717) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
PubChem CID117108717
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Namemethyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O3/c1-17-9(16)8(15)5-2-6(10(12,13)14)4-7(11)3-5/h2-4,8,15H,1H3
InChIKeyVTISANOJMVDOAK-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 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
methyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetate
CID 10384209
(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;methyl 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
CID 160817658
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171271415
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171271413
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-cyclopropylacetate
CID 104920850
methyl 2,3-dihydroxy-3-[3-methyl-5-(trifluoromethyl)phenyl]propanoate
CID 171864563

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate (CID 117108717) is methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate is COC(=O)C(O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The InChIKey is VTISANOJMVDOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-17-9(16)8(15)5-2-6(10(12,13)14)4-7(11)3-5/h2-4,8,15H,1H3.
What are the key properties of methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate?
methyl 2-[3-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-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117108717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).