propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate

C16H15Cl2F3N2O4 — CID 15672204

IUPACpropyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
SMILESCCCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C16H15Cl2F3N2O4/c1-3-4-25-12(24)7-26-11-5-8(10(19)6-9(11)17)14-13(18)15(23(2)22-14)27-16(20)21/h5-6,16H,3-4,7H2,1-2H3
InChIKeyVWDYVYBVKMGOLV-UHFFFAOYSA-N
MW427.21 g/mol
LogP4.47
Rot. Bonds8

About propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate

propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate (PubChem CID 15672204) has the molecular formula C16H15Cl2F3N2O4 and a molecular weight of 427.21 g/mol. Its IUPAC name is propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate.

Molecular Properties

Compound Namepropyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
PubChem CID15672204
Molecular FormulaC16H15Cl2F3N2O4
Molecular Weight427.21 g/mol
Exact Mass426.04
IUPAC Namepropyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
SMILESCCCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C16H15Cl2F3N2O4/c1-3-4-25-12(24)7-26-11-5-8(10(19)6-9(11)17)14-13(18)15(23(2)22-14)27-16(20)21/h5-6,16H,3-4,7H2,1-2H3
InChIKeyVWDYVYBVKMGOLV-UHFFFAOYSA-N
XLogP4.47
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.21
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyraflufen-ethyl
CID 182951
Pyraflufen
CID 15672202
4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole
CID 11324880
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
2-[2-Chloro-5-[4-chloro-5-(difluoromethoxy)-1H-pyrazol-3-yl]-4-fluorophenoxy]acetic Acid
CID 101126841
[6-Chloro-3-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(diacetylamino)-4-fluorophenyl] acetate
CID 56589925
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
3-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11439056
2-[5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole-3-yl)-2,4-dichlorophenoxy]propionyl chloride
CID 15030575
3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278580
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278581
4-Chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 15376691

Frequently Asked Questions

What is the IUPAC name of propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?
The IUPAC name of propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate (CID 15672204) is propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate.
What is the SMILES notation for propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?
The canonical SMILES for propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate is CCCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?
The InChIKey is VWDYVYBVKMGOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F3N2O4/c1-3-4-25-12(24)7-26-11-5-8(10(19)6-9(11)17)14-13(18)15(23(2)22-14)27-16(20)21/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?
propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate has a molecular weight of 427.21 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate is sourced from PubChem (CID 15672204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).