5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole

C8H4F10N2O — CID 142448860

IUPAC5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole
SMILESCn1nc(OC(F)(F)C(F)C(F)(F)F)c(C(F)(F)F)c1F
InChIInChI=1S/C8H4F10N2O/c1-20-3(9)2(6(11,12)13)4(19-20)21-8(17,18)5(10)7(14,15)16/h5H,1H3
InChIKeyUHOREMRZUHDNDT-UHFFFAOYSA-N
MW334.11 g/mol
LogP3.45
Rot. Bonds3

About 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole

5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole (PubChem CID 142448860) has the molecular formula C8H4F10N2O and a molecular weight of 334.11 g/mol. Its IUPAC name is 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole
PubChem CID142448860
Molecular FormulaC8H4F10N2O
Molecular Weight334.11 g/mol
Exact Mass334.02
IUPAC Name5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole
SMILESCn1nc(OC(F)(F)C(F)C(F)(F)F)c(C(F)(F)F)c1F
InChIInChI=1S/C8H4F10N2O/c1-20-3(9)2(6(11,12)13)4(19-20)21-8(17,18)5(10)7(14,15)16/h5H,1H3
InChIKeyUHOREMRZUHDNDT-UHFFFAOYSA-N
XLogP3.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole (CID 142448860) is 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole is Cn1nc(OC(F)(F)C(F)C(F)(F)F)c(C(F)(F)F)c1F.
What is the InChIKey of 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole?
The InChIKey is UHOREMRZUHDNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F10N2O/c1-20-3(9)2(6(11,12)13)4(19-20)21-8(17,18)5(10)7(14,15)16/h5H,1H3.
What are the key properties of 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole?
5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole has a molecular weight of 334.11 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 142448860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).