1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone

C11H17F3N2O2 — CID 119800821

IUPAC1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)3-5-16(7-10)9(17)6-8-2-1-4-15-8/h8,15,18H,1-7H2
InChIKeyZLCTVVDDVFOIGN-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.65
Rot. Bonds2

About 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone

1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 119800821) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
PubChem CID119800821
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)3-5-16(7-10)9(17)6-8-2-1-4-15-8/h8,15,18H,1-7H2
InChIKeyZLCTVVDDVFOIGN-UHFFFAOYSA-N
XLogP0.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone (CID 119800821) is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is ZLCTVVDDVFOIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)3-5-16(7-10)9(17)6-8-2-1-4-15-8/h8,15,18H,1-7H2.
What are the key properties of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 266.26 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119800821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).