3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole

C10H8F4N2 — CID 162580919

IUPAC3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole
SMILESFC1=CC(=C2C=C(C(F)(F)F)NN2)CC=C1
InChIInChI=1S/C10H8F4N2/c11-7-3-1-2-6(4-7)8-5-9(16-15-8)10(12,13)14/h1,3-5,15-16H,2H2
InChIKeyNWJYWHXVGNREIW-UHFFFAOYSA-N
MW232.18 g/mol
LogP2.61
Rot. Bonds

About 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole

3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole (PubChem CID 162580919) has the molecular formula C10H8F4N2 and a molecular weight of 232.18 g/mol. Its IUPAC name is 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole.

Molecular Properties

Compound Name3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole
PubChem CID162580919
Molecular FormulaC10H8F4N2
Molecular Weight232.18 g/mol
Exact Mass232.06
IUPAC Name3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole
SMILESFC1=CC(=C2C=C(C(F)(F)F)NN2)CC=C1
InChIInChI=1S/C10H8F4N2/c11-7-3-1-2-6(4-7)8-5-9(16-15-8)10(12,13)14/h1,3-5,15-16H,2H2
InChIKeyNWJYWHXVGNREIW-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole?
The IUPAC name of 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole (CID 162580919) is 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole.
What is the SMILES notation for 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole?
The canonical SMILES for 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole is FC1=CC(=C2C=C(C(F)(F)F)NN2)CC=C1.
What is the InChIKey of 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole?
The InChIKey is NWJYWHXVGNREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2/c11-7-3-1-2-6(4-7)8-5-9(16-15-8)10(12,13)14/h1,3-5,15-16H,2H2.
What are the key properties of 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole?
3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole has a molecular weight of 232.18 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole is sourced from PubChem (CID 162580919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).