2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one

C11H18F2N2O — CID 170353554

IUPAC2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one
SMILESCCCCC1=NC(CCF)(CCF)C(=O)N1
InChIInChI=1S/C11H18F2N2O/c1-2-3-4-9-14-10(16)11(15-9,5-7-12)6-8-13/h2-8H2,1H3,(H,14,15,16)
InChIKeyPLCYLVWJXZGCNS-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.16
Rot. Bonds7

About 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one

2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one (PubChem CID 170353554) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one
PubChem CID170353554
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one
SMILESCCCCC1=NC(CCF)(CCF)C(=O)N1
InChIInChI=1S/C11H18F2N2O/c1-2-3-4-9-14-10(16)11(15-9,5-7-12)6-8-13/h2-8H2,1H3,(H,14,15,16)
InChIKeyPLCYLVWJXZGCNS-UHFFFAOYSA-N
XLogP2.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one?
The IUPAC name of 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one (CID 170353554) is 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one?
The canonical SMILES for 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one is CCCCC1=NC(CCF)(CCF)C(=O)N1.
What is the InChIKey of 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one?
The InChIKey is PLCYLVWJXZGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-2-3-4-9-14-10(16)11(15-9,5-7-12)6-8-13/h2-8H2,1H3,(H,14,15,16).
What are the key properties of 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one?
2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one has a molecular weight of 232.27 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one is sourced from PubChem (CID 170353554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).