3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine

C14H13F3N2 — CID 78205003

IUPAC3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine
SMILESFC(F)(F)C1CC(c2ccc3ccccc3c2)NN1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,18-19H,8H2
InChIKeyAOUDISMBOMFEGY-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.31
Rot. Bonds1

About 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine

3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine (PubChem CID 78205003) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine
PubChem CID78205003
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine
SMILESFC(F)(F)C1CC(c2ccc3ccccc3c2)NN1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,18-19H,8H2
InChIKeyAOUDISMBOMFEGY-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine?
The IUPAC name of 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine (CID 78205003) is 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine is FC(F)(F)C1CC(c2ccc3ccccc3c2)NN1.
What is the InChIKey of 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine?
The InChIKey is AOUDISMBOMFEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,18-19H,8H2.
What are the key properties of 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine?
3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine has a molecular weight of 266.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 78205003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).