5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole

C10H6BrF3N2O — CID 57045899

IUPAC5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole
SMILESFc1ccc(OC(F)F)c(-n2nccc2Br)c1
InChIInChI=1S/C10H6BrF3N2O/c11-9-3-4-15-16(9)7-5-6(12)1-2-8(7)17-10(13)14/h1-5,10H
InChIKeySGXXFGDMVVYXAY-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.38
Rot. Bonds3

About 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole

5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole (PubChem CID 57045899) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole.

Molecular Properties

Compound Name5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole
PubChem CID57045899
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole
SMILESFc1ccc(OC(F)F)c(-n2nccc2Br)c1
InChIInChI=1S/C10H6BrF3N2O/c11-9-3-4-15-16(9)7-5-6(12)1-2-8(7)17-10(13)14/h1-5,10H
InChIKeySGXXFGDMVVYXAY-UHFFFAOYSA-N
XLogP3.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(difluoromethoxy)-2,4-difluorobenzene
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[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
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1-(2-bromo-5-fluorophenyl)-5-methylpyrazole
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2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
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5-bromo-1-(2,4-dichlorophenyl)pyrazole
CID 79020409
dimethyl 3-[2-(difluoromethoxy)-5-fluorophenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635310
5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole
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(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
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2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
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5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole?
The IUPAC name of 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole (CID 57045899) is 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole.
What is the SMILES notation for 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole?
The canonical SMILES for 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole is Fc1ccc(OC(F)F)c(-n2nccc2Br)c1.
What is the InChIKey of 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole?
The InChIKey is SGXXFGDMVVYXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-9-3-4-15-16(9)7-5-6(12)1-2-8(7)17-10(13)14/h1-5,10H.
What are the key properties of 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole?
5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole has a molecular weight of 307.07 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole is sourced from PubChem (CID 57045899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).