4-(trifluoromethyl)pyrazolidine

C4H7F3N2 — CID 123549529

IUPAC4-(trifluoromethyl)pyrazolidine
SMILESFC(F)(F)C1CNNC1
InChIInChI=1S/C4H7F3N2/c5-4(6,7)3-1-8-9-2-3/h3,8-9H,1-2H2
InChIKeyPRORUULEUWTFQD-UHFFFAOYSA-N
MW140.11 g/mol
LogP0.27
Rot. Bonds

About 4-(trifluoromethyl)pyrazolidine

4-(trifluoromethyl)pyrazolidine (PubChem CID 123549529) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrazolidine
PubChem CID123549529
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Name4-(trifluoromethyl)pyrazolidine
SMILESFC(F)(F)C1CNNC1
InChIInChI=1S/C4H7F3N2/c5-4(6,7)3-1-8-9-2-3/h3,8-9H,1-2H2
InChIKeyPRORUULEUWTFQD-UHFFFAOYSA-N
XLogP0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrazolidine?
The IUPAC name of 4-(trifluoromethyl)pyrazolidine (CID 123549529) is 4-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 4-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 4-(trifluoromethyl)pyrazolidine is FC(F)(F)C1CNNC1.
What is the InChIKey of 4-(trifluoromethyl)pyrazolidine?
The InChIKey is PRORUULEUWTFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2/c5-4(6,7)3-1-8-9-2-3/h3,8-9H,1-2H2.
What are the key properties of 4-(trifluoromethyl)pyrazolidine?
4-(trifluoromethyl)pyrazolidine has a molecular weight of 140.11 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 123549529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).