methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate

C14H11Cl2F3N2O3 — CID 19959935

IUPACmethyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate
SMILESCOC(=O)COc1cc(-c2nc(C)n(C(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2O3/c1-6-20-12(13(16)21(6)14(18)19)7-3-10(8(15)4-9(7)17)24-5-11(22)23-2/h3-4,14H,5H2,1-2H3
InChIKeyPPGXSJKXKVXWAD-UHFFFAOYSA-N
MW383.15 g/mol
LogP4.25
Rot. Bonds5

About methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate

methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate (PubChem CID 19959935) has the molecular formula C14H11Cl2F3N2O3 and a molecular weight of 383.15 g/mol. Its IUPAC name is methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate
PubChem CID19959935
Molecular FormulaC14H11Cl2F3N2O3
Molecular Weight383.15 g/mol
Exact Mass382.01
IUPAC Namemethyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate
SMILESCOC(=O)COc1cc(-c2nc(C)n(C(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2O3/c1-6-20-12(13(16)21(6)14(18)19)7-3-10(8(15)4-9(7)17)24-5-11(22)23-2/h3-4,14H,5H2,1-2H3
InChIKeyPPGXSJKXKVXWAD-UHFFFAOYSA-N
XLogP4.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]phenoxy]acetate
CID 145267015
methyl 2-[2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]acetate
CID 151942591
ethyl 2-[2-chloro-5-[5-chloro-6-(1-hydroxyethyl)pyrimidin-4-yl]-4-fluorophenoxy]acetate
CID 139884477
2-[2-chloro-5-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetic acid
CID 172823112
(E)-4-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-3-methoxybut-2-enoic acid
CID 68933465
4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole
CID 19959928
methyl 2-(2-chloro-3,5-difluorophenoxy)acetate
CID 164905285
2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide
CID 101148256
N-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methanesulfonamide
CID 139921152
5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine
CID 18466521
methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate
CID 89053253
methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate
CID 138664444

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate?
The IUPAC name of methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate (CID 19959935) is methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate.
What is the SMILES notation for methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate?
The canonical SMILES for methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate is COC(=O)COc1cc(-c2nc(C)n(C(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate?
The InChIKey is PPGXSJKXKVXWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O3/c1-6-20-12(13(16)21(6)14(18)19)7-3-10(8(15)4-9(7)17)24-5-11(22)23-2/h3-4,14H,5H2,1-2H3.
What are the key properties of methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate?
methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate has a molecular weight of 383.15 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate is sourced from PubChem (CID 19959935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).