1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one

C9H14F3N3O — CID 84798422

IUPAC1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESO=C1N(CC(F)(F)F)CCN1C1CCNC1
InChIInChI=1S/C9H14F3N3O/c10-9(11,12)6-14-3-4-15(8(14)16)7-1-2-13-5-7/h7,13H,1-6H2
InChIKeyDERRSJFGJIQPLC-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.65
Rot. Bonds2

About 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one

1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one (PubChem CID 84798422) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
PubChem CID84798422
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESO=C1N(CC(F)(F)F)CCN1C1CCNC1
InChIInChI=1S/C9H14F3N3O/c10-9(11,12)6-14-3-4-15(8(14)16)7-1-2-13-5-7/h7,13H,1-6H2
InChIKeyDERRSJFGJIQPLC-UHFFFAOYSA-N
XLogP0.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The IUPAC name of 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one (CID 84798422) is 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one.
What is the SMILES notation for 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The canonical SMILES for 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one is O=C1N(CC(F)(F)F)CCN1C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The InChIKey is DERRSJFGJIQPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c10-9(11,12)6-14-3-4-15(8(14)16)7-1-2-13-5-7/h7,13H,1-6H2.
What are the key properties of 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one?
1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one has a molecular weight of 237.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one is sourced from PubChem (CID 84798422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).