4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole

C5H2ClF5N2 — CID 123416309

IUPAC4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
SMILESFC(F)(F)C(F)(F)c1[nH]ncc1Cl
InChIInChI=1S/C5H2ClF5N2/c6-2-1-12-13-3(2)4(7,8)5(9,10)11/h1H,(H,12,13)
InChIKeyRINCRGOIZSMIDZ-UHFFFAOYSA-N
MW220.53 g/mol
LogP2.72
Rot. Bonds1

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

4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole (PubChem CID 123416309) has the molecular formula C5H2ClF5N2 and a molecular weight of 220.53 g/mol. Its IUPAC name is 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
PubChem CID123416309
Molecular FormulaC5H2ClF5N2
Molecular Weight220.53 g/mol
Exact Mass219.98
IUPAC Name4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
SMILESFC(F)(F)C(F)(F)c1[nH]ncc1Cl
InChIInChI=1S/C5H2ClF5N2/c6-2-1-12-13-3(2)4(7,8)5(9,10)11/h1H,(H,12,13)
InChIKeyRINCRGOIZSMIDZ-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole (CID 123416309) is 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole is FC(F)(F)C(F)(F)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The InChIKey is RINCRGOIZSMIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF5N2/c6-2-1-12-13-3(2)4(7,8)5(9,10)11/h1H,(H,12,13).
What are the key properties of 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole has a molecular weight of 220.53 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole is sourced from PubChem (CID 123416309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).