methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate

C10H7ClF4O2 — CID 171030057

IUPACmethyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)c(F)c1Cl
InChIInChI=1S/C10H7ClF4O2/c1-17-7(16)4-5-2-3-6(10(13,14)15)9(12)8(5)11/h2-3H,4H2,1H3
InChIKeyKSDAGHUETQCJBQ-UHFFFAOYSA-N
MW270.61 g/mol
LogP3.21
Rot. Bonds2

About methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate

methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate (PubChem CID 171030057) has the molecular formula C10H7ClF4O2 and a molecular weight of 270.61 g/mol. Its IUPAC name is methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate
PubChem CID171030057
Molecular FormulaC10H7ClF4O2
Molecular Weight270.61 g/mol
Exact Mass270.01
IUPAC Namemethyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)c(F)c1Cl
InChIInChI=1S/C10H7ClF4O2/c1-17-7(16)4-5-2-3-6(10(13,14)15)9(12)8(5)11/h2-3H,4H2,1H3
InChIKeyKSDAGHUETQCJBQ-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.61
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
CID 170995993
methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097688
methyl 2-[3-iodo-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134638465
methyl 2-[3-ethyl-2,6-bis(trifluoromethyl)phenyl]acetate
CID 134614131
methyl 2-[3-(chloromethyl)-2-cyano-6-(trifluoromethyl)phenyl]acetate
CID 134635019
methyl (3S)-3-amino-3-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]propanoate
CID 171242740
methyl 3-chloro-2-fluoro-4-(trifluoromethyl)benzoate
CID 134646250
ethyl 2-chloro-3-fluoro-4-(trifluoromethyl)benzoate
CID 146277617
methyl 2-(2-chloro-3-cyano-4-fluorophenyl)acetate
CID 171029896
methyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 175837074
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
ethane;methyl 2-(2-chloro-3,4-dimethylphenyl)acetate
CID 144916054

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate (CID 171030057) is methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate is COC(=O)Cc1ccc(C(F)(F)F)c(F)c1Cl.
What is the InChIKey of methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate?
The InChIKey is KSDAGHUETQCJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O2/c1-17-7(16)4-5-2-3-6(10(13,14)15)9(12)8(5)11/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate?
methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate has a molecular weight of 270.61 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 171030057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).