5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole

C7H4F8N2 — CID 141090064

IUPAC5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)C(F)(F)C(F)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C7H4F8N2/c8-4(6(11,12)5(9)10)3-2(1-16-17-3)7(13,14)15/h1,4-5H,(H,16,17)
InChIKeyZVVLAHOHWXNMOM-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.34
Rot. Bonds3

About 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole

5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 141090064) has the molecular formula C7H4F8N2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole
PubChem CID141090064
Molecular FormulaC7H4F8N2
Molecular Weight268.11 g/mol
Exact Mass268.02
IUPAC Name5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)C(F)(F)C(F)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C7H4F8N2/c8-4(6(11,12)5(9)10)3-2(1-16-17-3)7(13,14)15/h1,4-5H,(H,16,17)
InChIKeyZVVLAHOHWXNMOM-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.34
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 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole (CID 141090064) is 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole is FC(F)C(F)(F)C(F)c1[nH]ncc1C(F)(F)F.
What is the InChIKey of 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ZVVLAHOHWXNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F8N2/c8-4(6(11,12)5(9)10)3-2(1-16-17-3)7(13,14)15/h1,4-5H,(H,16,17).
What are the key properties of 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole?
5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 268.11 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,2,3,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 141090064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).