2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol

C11H7Cl2F3N2O2 — CID 11324880

IUPAC2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C11H7Cl2F3N2O2/c1-18-10(20-11(15)16)8(13)9(17-18)4-2-7(19)5(12)3-6(4)14/h2-3,11,19H,1H3
InChIKeyYKQLJAVWTKOPEC-UHFFFAOYSA-N
MW327.09 g/mol
LogP3.84
Rot. Bonds3

About 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol

2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol (PubChem CID 11324880) has the molecular formula C11H7Cl2F3N2O2 and a molecular weight of 327.09 g/mol. Its IUPAC name is 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol
PubChem CID11324880
Molecular FormulaC11H7Cl2F3N2O2
Molecular Weight327.09 g/mol
Exact Mass325.98
IUPAC Name2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C11H7Cl2F3N2O2/c1-18-10(20-11(15)16)8(13)9(17-18)4-2-7(19)5(12)3-6(4)14/h2-3,11,19H,1H3
InChIKeyYKQLJAVWTKOPEC-UHFFFAOYSA-N
XLogP3.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.09
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyraflufen-ethyl
CID 182951
Pyraflufen
CID 15672202
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-methoxyphenyl)-5-(difluoromethoxy)-1H-pyrazole
CID 101126842
4-Chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile
CID 10935025
4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 11121024
2-[2-Chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 11293728
2-[2-Chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 11386053
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11438328
3-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11439056
4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 11523546

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol?
The IUPAC name of 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol (CID 11324880) is 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol.
What is the SMILES notation for 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol?
The canonical SMILES for 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol is Cn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1OC(F)F.
What is the InChIKey of 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol?
The InChIKey is YKQLJAVWTKOPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N2O2/c1-18-10(20-11(15)16)8(13)9(17-18)4-2-7(19)5(12)3-6(4)14/h2-3,11,19H,1H3.
What are the key properties of 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol?
2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol has a molecular weight of 327.09 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol is sourced from PubChem (CID 11324880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).