2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride

C14H10Cl4F2N2O3 — CID 15030575

IUPAC2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride
SMILESCC(Oc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl)C(=O)Cl
InChIInChI=1S/C14H10Cl4F2N2O3/c1-5(12(18)23)24-9-3-6(7(15)4-8(9)16)11-10(17)13(22(2)21-11)25-14(19)20/h3-5,14H,1-2H3
InChIKeyQJTCQGNFKCOPEL-UHFFFAOYSA-N
MW434.05 g/mol
LogP5.18
Rot. Bonds6

About 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride

2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride (PubChem CID 15030575) has the molecular formula C14H10Cl4F2N2O3 and a molecular weight of 434.05 g/mol. Its IUPAC name is 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride.

Molecular Properties

Compound Name2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride
PubChem CID15030575
Molecular FormulaC14H10Cl4F2N2O3
Molecular Weight434.05 g/mol
Exact Mass431.94
IUPAC Name2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride
SMILESCC(Oc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl)C(=O)Cl
InChIInChI=1S/C14H10Cl4F2N2O3/c1-5(12(18)23)24-9-3-6(7(15)4-8(9)16)11-10(17)13(22(2)21-11)25-14(19)20/h3-5,14H,1-2H3
InChIKeyQJTCQGNFKCOPEL-UHFFFAOYSA-N
XLogP5.18
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.05
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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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
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
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
Methyl 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]acetate
CID 15672045
Propyl 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]acetate
CID 15672046

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride?
The IUPAC name of 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride (CID 15030575) is 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride.
What is the SMILES notation for 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride?
The canonical SMILES for 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride is CC(Oc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl)C(=O)Cl.
What is the InChIKey of 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride?
The InChIKey is QJTCQGNFKCOPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4F2N2O3/c1-5(12(18)23)24-9-3-6(7(15)4-8(9)16)11-10(17)13(22(2)21-11)25-14(19)20/h3-5,14H,1-2H3.
What are the key properties of 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride?
2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride has a molecular weight of 434.05 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]propanoyl chloride is sourced from PubChem (CID 15030575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).