5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole

C8H3ClF10N2 — CID 10089388

IUPAC5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccn[nH]1
InChIInChI=1S/C8H3ClF10N2/c9-8(18,19)7(16,17)6(14,15)5(12,13)4(10,11)3-1-2-20-21-3/h1-2H,(H,20,21)
InChIKeyQQUJBQJAUBDOGT-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.24
Rot. Bonds5

About 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole

5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole (PubChem CID 10089388) has the molecular formula C8H3ClF10N2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole
PubChem CID10089388
Molecular FormulaC8H3ClF10N2
Molecular Weight352.56 g/mol
Exact Mass351.98
IUPAC Name5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccn[nH]1
InChIInChI=1S/C8H3ClF10N2/c9-8(18,19)7(16,17)6(14,15)5(12,13)4(10,11)3-1-2-20-21-3/h1-2H,(H,20,21)
InChIKeyQQUJBQJAUBDOGT-UHFFFAOYSA-N
XLogP4.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[chloro(difluoro)methyl]-1H-pyrazole
CID 59403642
5-(trifluoromethyl)-1H-pyrazole;hydrochloride
CID 142631997
5-[bromo(difluoro)methyl]-1H-pyrazole
CID 125448985
copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide
CID 139058362
2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-3,5-dimethylpyridine
CID 11102269
5-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrazole
CID 141346603
5-(trifluoromethoxy)-1H-pyrazole
CID 76545932
telluroxodihydrodiazole
CID 139263061
1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole
CID 157068873
5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 122483416
2,2,2-trifluoro-1-(1H-pyrazol-5-yl)ethanethione
CID 141015818
5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 54057584

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole?
The IUPAC name of 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole (CID 10089388) is 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole.
What is the SMILES notation for 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole?
The canonical SMILES for 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole is FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccn[nH]1.
What is the InChIKey of 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole?
The InChIKey is QQUJBQJAUBDOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF10N2/c9-8(18,19)7(16,17)6(14,15)5(12,13)4(10,11)3-1-2-20-21-3/h1-2H,(H,20,21).
What are the key properties of 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole?
5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole has a molecular weight of 352.56 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole is sourced from PubChem (CID 10089388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).