methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate

C10H7ClF4O2 — CID 171030086

IUPACmethyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1c(Cl)ccc(F)c1C(F)(F)F
InChIInChI=1S/C10H7ClF4O2/c1-17-8(16)4-5-6(11)2-3-7(12)9(5)10(13,14)15/h2-3H,4H2,1H3
InChIKeyOWOJZETXSBWNEE-UHFFFAOYSA-N
MW270.61 g/mol
LogP3.21
Rot. Bonds2

About methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate

methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate (PubChem CID 171030086) has the molecular formula C10H7ClF4O2 and a molecular weight of 270.61 g/mol. Its IUPAC name is methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate
PubChem CID171030086
Molecular FormulaC10H7ClF4O2
Molecular Weight270.61 g/mol
Exact Mass270.01
IUPAC Namemethyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1c(Cl)ccc(F)c1C(F)(F)F
InChIInChI=1S/C10H7ClF4O2/c1-17-8(16)4-5-6(11)2-3-7(12)9(5)10(13,14)15/h2-3H,4H2,1H3
InChIKeyOWOJZETXSBWNEE-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-[3-ethyl-2,6-bis(trifluoromethyl)phenyl]acetate
CID 134614131
methyl 2-[2-(chloromethyl)-3,6-difluorophenyl]acetate
CID 171019323
methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097693
2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid
CID 131283200
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
CID 130864862
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-[3-(chloromethyl)-6-cyano-2-(trifluoromethyl)phenyl]acetate
CID 134635050
methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate
CID 171030057
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
methyl 2-(6-chloro-2-formyl-3-methylphenyl)acetate
CID 171022124
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate (CID 171030086) is methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate is COC(=O)Cc1c(Cl)ccc(F)c1C(F)(F)F.
What is the InChIKey of methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate?
The InChIKey is OWOJZETXSBWNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O2/c1-17-8(16)4-5-6(11)2-3-7(12)9(5)10(13,14)15/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate?
methyl 2-[6-chloro-3-fluoro-2-(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-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 171030086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).