1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole

C10H6F4N2 — CID 66016332

IUPAC1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFc1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C10H6F4N2/c11-7-2-1-3-8(6-7)16-5-4-9(15-16)10(12,13)14/h1-6H
InChIKeySHAJKMCRUKCHIM-UHFFFAOYSA-N
MW230.16 g/mol
LogP3.03
Rot. Bonds1

About 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole

1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 66016332) has the molecular formula C10H6F4N2 and a molecular weight of 230.16 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID66016332
Molecular FormulaC10H6F4N2
Molecular Weight230.16 g/mol
Exact Mass230.05
IUPAC Name1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFc1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C10H6F4N2/c11-7-2-1-3-8(6-7)16-5-4-9(15-16)10(12,13)14/h1-6H
InChIKeySHAJKMCRUKCHIM-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole (CID 66016332) is 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole is Fc1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is SHAJKMCRUKCHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2/c11-7-2-1-3-8(6-7)16-5-4-9(15-16)10(12,13)14/h1-6H.
What are the key properties of 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole?
1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 230.16 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66016332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).