5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride

C5H8Cl2F2N2O3S — CID 175600069

IUPAC5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride
SMILESC.FC(F)Oc1ccn[nH]1.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H4F2N2O.CH4.Cl2O2S/c5-4(6)9-3-1-2-7-8-3;;1-5(2,3)4/h1-2,4H,(H,7,8);1H4;
InChIKeyNKGVXOOCUGLXGL-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.36
Rot. Bonds2

About 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride

5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride (PubChem CID 175600069) has the molecular formula C5H8Cl2F2N2O3S and a molecular weight of 285.10 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride.

Molecular Properties

Compound Name5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride
PubChem CID175600069
Molecular FormulaC5H8Cl2F2N2O3S
Molecular Weight285.10 g/mol
Exact Mass283.96
IUPAC Name5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride
SMILESC.FC(F)Oc1ccn[nH]1.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H4F2N2O.CH4.Cl2O2S/c5-4(6)9-3-1-2-7-8-3;;1-5(2,3)4/h1-2,4H,(H,7,8);1H4;
InChIKeyNKGVXOOCUGLXGL-UHFFFAOYSA-N
XLogP2.36
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(trifluoromethoxy)-1H-pyrazole
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CID 174155754
N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide
CID 102691951
5-(1-fluoroethyl)-1H-pyrazole
CID 147386322
4-(difluoromethoxy)-2-(1H-pyrazol-5-yl)pyridine
CID 146279888
4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
CID 131502091
5-(disulfanyloxy)-1H-pyrazole
CID 146364372
5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride
CID 2736710
dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)
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5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride?
The IUPAC name of 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride (CID 175600069) is 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride.
What is the SMILES notation for 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride?
The canonical SMILES for 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride is C.FC(F)Oc1ccn[nH]1.O=S(=O)(Cl)Cl.
What is the InChIKey of 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride?
The InChIKey is NKGVXOOCUGLXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2O.CH4.Cl2O2S/c5-4(6)9-3-1-2-7-8-3;;1-5(2,3)4/h1-2,4H,(H,7,8);1H4;.
What are the key properties of 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride?
5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride has a molecular weight of 285.10 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride is sourced from PubChem (CID 175600069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).