4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole

C6H4F4N2 — CID 150567195

IUPAC4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole
SMILESF/C(=C\c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C6H4F4N2/c7-5(6(8,9)10)1-4-2-11-12-3-4/h1-3H,(H,11,12)/b5-1-
InChIKeyILBNUWFFDXTYFH-KTAJNNJTSA-N
MW180.10 g/mol
LogP2.28
Rot. Bonds1

About 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole

4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole (PubChem CID 150567195) has the molecular formula C6H4F4N2 and a molecular weight of 180.10 g/mol. Its IUPAC name is 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole
PubChem CID150567195
Molecular FormulaC6H4F4N2
Molecular Weight180.10 g/mol
Exact Mass180.03
IUPAC Name4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole
SMILESF/C(=C\c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C6H4F4N2/c7-5(6(8,9)10)1-4-2-11-12-3-4/h1-3H,(H,11,12)/b5-1-
InChIKeyILBNUWFFDXTYFH-KTAJNNJTSA-N
XLogP2.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole?
The IUPAC name of 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole (CID 150567195) is 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole.
What is the SMILES notation for 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole?
The canonical SMILES for 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole is F/C(=C\c1cn[nH]c1)C(F)(F)F.
What is the InChIKey of 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole?
The InChIKey is ILBNUWFFDXTYFH-KTAJNNJTSA-N. The full InChI is InChI=1S/C6H4F4N2/c7-5(6(8,9)10)1-4-2-11-12-3-4/h1-3H,(H,11,12)/b5-1-.
What are the key properties of 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole?
4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole has a molecular weight of 180.10 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1H-pyrazole is sourced from PubChem (CID 150567195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).