4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C8H9F5N2 — CID 90162175

IUPAC4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C8H9F5N2/c1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13/h3-4,7H,1-2H3
InChIKeyLCNZCIRDPOODOY-UHFFFAOYSA-N
MW228.16 g/mol
LogP3.42
Rot. Bonds2

About 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90162175) has the molecular formula C8H9F5N2 and a molecular weight of 228.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID90162175
Molecular FormulaC8H9F5N2
Molecular Weight228.16 g/mol
Exact Mass228.07
IUPAC Name4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C8H9F5N2/c1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13/h3-4,7H,1-2H3
InChIKeyLCNZCIRDPOODOY-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 90162175) is 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1cc(C(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is LCNZCIRDPOODOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5N2/c1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13/h3-4,7H,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 228.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).