5-chloro-1-(2,2,2-trifluoroethyl)pyrazole

C5H4ClF3N2 — CID 131052602

IUPAC5-chloro-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1nccc1Cl
InChIInChI=1S/C5H4ClF3N2/c6-4-1-2-10-11(4)3-5(7,8)9/h1-2H,3H2
InChIKeyRZBJREUDHMGQQX-UHFFFAOYSA-N
MW184.55 g/mol
LogP2.10
Rot. Bonds1

About 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole

5-chloro-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 131052602) has the molecular formula C5H4ClF3N2 and a molecular weight of 184.55 g/mol. Its IUPAC name is 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID131052602
Molecular FormulaC5H4ClF3N2
Molecular Weight184.55 g/mol
Exact Mass184.00
IUPAC Name5-chloro-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1nccc1Cl
InChIInChI=1S/C5H4ClF3N2/c6-4-1-2-10-11(4)3-5(7,8)9/h1-2H,3H2
InChIKeyRZBJREUDHMGQQX-UHFFFAOYSA-N
XLogP2.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.55
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole (CID 131052602) is 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole is FC(F)(F)Cn1nccc1Cl.
What is the InChIKey of 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is RZBJREUDHMGQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2/c6-4-1-2-10-11(4)3-5(7,8)9/h1-2H,3H2.
What are the key properties of 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole?
5-chloro-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 184.55 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 131052602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).