3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole

C10H13F3N2 — CID 42647092

IUPAC3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
SMILESFC(F)(F)c1n[nH]c2c1CCCCCC2
InChIInChI=1S/C10H13F3N2/c11-10(12,13)9-7-5-3-1-2-4-6-8(7)14-15-9/h1-6H2,(H,14,15)
InChIKeyLCUFGFNPQDOVOG-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.09
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole

3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole (PubChem CID 42647092) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
PubChem CID42647092
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
SMILESFC(F)(F)c1n[nH]c2c1CCCCCC2
InChIInChI=1S/C10H13F3N2/c11-10(12,13)9-7-5-3-1-2-4-6-8(7)14-15-9/h1-6H2,(H,14,15)
InChIKeyLCUFGFNPQDOVOG-UHFFFAOYSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole (CID 42647092) is 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole is FC(F)(F)c1n[nH]c2c1CCCCCC2.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The InChIKey is LCUFGFNPQDOVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)9-7-5-3-1-2-4-6-8(7)14-15-9/h1-6H2,(H,14,15).
What are the key properties of 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole has a molecular weight of 218.22 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole is sourced from PubChem (CID 42647092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).