2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid

C14H11Cl2F3N2O4 — CID 15672211

IUPAC2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid
SMILESCC(Oc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl)C(=O)O
InChIInChI=1S/C14H11Cl2F3N2O4/c1-5(13(22)23)24-9-3-6(8(17)4-7(9)15)11-10(16)12(21(2)20-11)25-14(18)19/h3-5,14H,1-2H3,(H,22,23)
InChIKeyFPHLDNLYZCXIAO-UHFFFAOYSA-N
MW399.15 g/mol
LogP3.99
Rot. Bonds6

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

2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid (PubChem CID 15672211) has the molecular formula C14H11Cl2F3N2O4 and a molecular weight of 399.15 g/mol. Its IUPAC name is 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid
PubChem CID15672211
Molecular FormulaC14H11Cl2F3N2O4
Molecular Weight399.15 g/mol
Exact Mass398.00
IUPAC Name2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid
SMILESCC(Oc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl)C(=O)O
InChIInChI=1S/C14H11Cl2F3N2O4/c1-5(13(22)23)24-9-3-6(8(17)4-7(9)15)11-10(16)12(21(2)20-11)25-14(18)19/h3-5,14H,1-2H3,(H,22,23)
InChIKeyFPHLDNLYZCXIAO-UHFFFAOYSA-N
XLogP3.99
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.15
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid with MolForge

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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
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
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278581
4-Chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 15390078
4-Chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 15672040
4-Chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 15672041

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid?
The IUPAC name of 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid (CID 15672211) is 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid.
What is the SMILES notation for 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid?
The canonical SMILES for 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid is CC(Oc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl)C(=O)O.
What is the InChIKey of 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid?
The InChIKey is FPHLDNLYZCXIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O4/c1-5(13(22)23)24-9-3-6(8(17)4-7(9)15)11-10(16)12(21(2)20-11)25-14(18)19/h3-5,14H,1-2H3,(H,22,23).
What are the key properties of 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid?
2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid has a molecular weight of 399.15 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]propanoic acid is sourced from PubChem (CID 15672211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).