4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole

C9H10F4N2 — CID 134466370

IUPAC4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESC=CCC(C)(F)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C9H10F4N2/c1-3-4-8(2,10)6-5-14-15-7(6)9(11,12)13/h3,5H,1,4H2,2H3,(H,14,15)
InChIKeyYIGKDXUVKBKGOD-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.19
Rot. Bonds3

About 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole

4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 134466370) has the molecular formula C9H10F4N2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID134466370
Molecular FormulaC9H10F4N2
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESC=CCC(C)(F)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C9H10F4N2/c1-3-4-8(2,10)6-5-14-15-7(6)9(11,12)13/h3,5H,1,4H2,2H3,(H,14,15)
InChIKeyYIGKDXUVKBKGOD-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole (CID 134466370) is 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole is C=CCC(C)(F)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is YIGKDXUVKBKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2/c1-3-4-8(2,10)6-5-14-15-7(6)9(11,12)13/h3,5H,1,4H2,2H3,(H,14,15).
What are the key properties of 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 222.18 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropent-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 134466370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).