1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine

C11H22F2N2 — CID 135291802

IUPAC1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine
SMILESCCCC1C(C(C)C)CNN1CC(F)F
InChIInChI=1S/C11H22F2N2/c1-4-5-10-9(8(2)3)6-14-15(10)7-11(12)13/h8-11,14H,4-7H2,1-3H3
InChIKeyOENCXOYPYHVZSY-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.51
Rot. Bonds5

About 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine

1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine (PubChem CID 135291802) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine
PubChem CID135291802
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine
SMILESCCCC1C(C(C)C)CNN1CC(F)F
InChIInChI=1S/C11H22F2N2/c1-4-5-10-9(8(2)3)6-14-15(10)7-11(12)13/h8-11,14H,4-7H2,1-3H3
InChIKeyOENCXOYPYHVZSY-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine (CID 135291802) is 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine is CCCC1C(C(C)C)CNN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine?
The InChIKey is OENCXOYPYHVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-4-5-10-9(8(2)3)6-14-15(10)7-11(12)13/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine?
1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine has a molecular weight of 220.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine is sourced from PubChem (CID 135291802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).