3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole

C5H3ClF4N2 — CID 154334451

IUPAC3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole
SMILESFC(n1ccc(Cl)n1)C(F)(F)F
InChIInChI=1S/C5H3ClF4N2/c6-3-1-2-12(11-3)4(7)5(8,9)10/h1-2,4H
InChIKeyOESQEAPYXUAHPO-UHFFFAOYSA-N
MW202.54 g/mol
LogP2.57
Rot. Bonds1

About 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole

3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole (PubChem CID 154334451) has the molecular formula C5H3ClF4N2 and a molecular weight of 202.54 g/mol. Its IUPAC name is 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole.

Molecular Properties

Compound Name3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole
PubChem CID154334451
Molecular FormulaC5H3ClF4N2
Molecular Weight202.54 g/mol
Exact Mass201.99
IUPAC Name3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole
SMILESFC(n1ccc(Cl)n1)C(F)(F)F
InChIInChI=1S/C5H3ClF4N2/c6-3-1-2-12(11-3)4(7)5(8,9)10/h1-2,4H
InChIKeyOESQEAPYXUAHPO-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.54
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole?
The IUPAC name of 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole (CID 154334451) is 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole.
What is the SMILES notation for 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole?
The canonical SMILES for 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole is FC(n1ccc(Cl)n1)C(F)(F)F.
What is the InChIKey of 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole?
The InChIKey is OESQEAPYXUAHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF4N2/c6-3-1-2-12(11-3)4(7)5(8,9)10/h1-2,4H.
What are the key properties of 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole?
3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole has a molecular weight of 202.54 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1,2,2,2-tetrafluoroethyl)pyrazole is sourced from PubChem (CID 154334451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).