1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine

C8H15F3N2 — CID 140635648

IUPAC1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine
SMILESCC(C)C1CC(C(F)(F)F)N(C)N1
InChIInChI=1S/C8H15F3N2/c1-5(2)6-4-7(8(9,10)11)13(3)12-6/h5-7,12H,4H2,1-3H3
InChIKeyPRPMYUKWYUZZDU-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.78
Rot. Bonds1

About 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine

1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine (PubChem CID 140635648) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine
PubChem CID140635648
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine
SMILESCC(C)C1CC(C(F)(F)F)N(C)N1
InChIInChI=1S/C8H15F3N2/c1-5(2)6-4-7(8(9,10)11)13(3)12-6/h5-7,12H,4H2,1-3H3
InChIKeyPRPMYUKWYUZZDU-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine (CID 140635648) is 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine is CC(C)C1CC(C(F)(F)F)N(C)N1.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine?
The InChIKey is PRPMYUKWYUZZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-5(2)6-4-7(8(9,10)11)13(3)12-6/h5-7,12H,4H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine?
1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine has a molecular weight of 196.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 140635648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).