1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one

C9H14F3N3O — CID 82816848

IUPAC1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C9H14F3N3O/c10-9(11,12)7-2-1-6(5-14-7)15-4-3-13-8(15)16/h6-7,14H,1-5H2,(H,13,16)
InChIKeyCCFQFRZCLNOUAR-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.69
Rot. Bonds1

About 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one

1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 82816848) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID82816848
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C9H14F3N3O/c10-9(11,12)7-2-1-6(5-14-7)15-4-3-13-8(15)16/h6-7,14H,1-5H2,(H,13,16)
InChIKeyCCFQFRZCLNOUAR-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one (CID 82816848) is 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1C1CCC(C(F)(F)F)NC1.
What is the InChIKey of 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is CCFQFRZCLNOUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c10-9(11,12)7-2-1-6(5-14-7)15-4-3-13-8(15)16/h6-7,14H,1-5H2,(H,13,16).
What are the key properties of 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one?
1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 237.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 82816848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).