3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole

C4HClF4N2O — CID 150956750

IUPAC3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole
SMILESFc1[nH]nc(OC(F)(F)Cl)c1F
InChIInChI=1S/C4HClF4N2O/c5-4(8,9)12-3-1(6)2(7)10-11-3/h(H,10,11)
InChIKeyLLGAJBSVVVCRTO-UHFFFAOYSA-N
MW204.51 g/mol
LogP1.86
Rot. Bonds2

About 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole

3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole (PubChem CID 150956750) has the molecular formula C4HClF4N2O and a molecular weight of 204.51 g/mol. Its IUPAC name is 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole.

Molecular Properties

Compound Name3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole
PubChem CID150956750
Molecular FormulaC4HClF4N2O
Molecular Weight204.51 g/mol
Exact Mass203.97
IUPAC Name3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole
SMILESFc1[nH]nc(OC(F)(F)Cl)c1F
InChIInChI=1S/C4HClF4N2O/c5-4(8,9)12-3-1(6)2(7)10-11-3/h(H,10,11)
InChIKeyLLGAJBSVVVCRTO-UHFFFAOYSA-N
XLogP1.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro(difluoro)methoxy]-4-fluorobenzene
CID 15681633
1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
CID 75365424
1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene
CID 71669494
1-[chloro(difluoro)methoxy]-2-fluorobenzene
CID 15681631
4-[chloro(difluoro)methoxy]-6-fluoro-N-methylpyrimidin-2-amine
CID 15022718
2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine
CID 19743220
4-[chloro(difluoro)methoxy]phenol
CID 13253418
5-[chloro(difluoro)methyl]-1H-pyrazole
CID 59403642
3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
CID 10608131
1-[3-[chloro(difluoro)methoxy]-2,4,5-trifluorophenyl]ethanone
CID 143120954
1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene
CID 13416590
1,3-dibromo-2-[chloro(difluoro)methoxy]benzene
CID 75365436

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole?
The IUPAC name of 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole (CID 150956750) is 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole.
What is the SMILES notation for 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole?
The canonical SMILES for 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole is Fc1[nH]nc(OC(F)(F)Cl)c1F.
What is the InChIKey of 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole?
The InChIKey is LLGAJBSVVVCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF4N2O/c5-4(8,9)12-3-1(6)2(7)10-11-3/h(H,10,11).
What are the key properties of 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole?
3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole has a molecular weight of 204.51 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(difluoro)methoxy]-4,5-difluoro-1H-pyrazole is sourced from PubChem (CID 150956750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).