2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

C10H17F3N2O — CID 83260380

IUPAC2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCCCC1NCC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-4-8-14-7-9(16)15(8)6-3-5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyGMOTVYVSGCRZFB-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.89
Rot. Bonds5

About 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83260380) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83260380
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCCCC1NCC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-4-8-14-7-9(16)15(8)6-3-5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyGMOTVYVSGCRZFB-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83260380) is 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is CCCC1NCC(=O)N1CCCC(F)(F)F.
What is the InChIKey of 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is GMOTVYVSGCRZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-4-8-14-7-9(16)15(8)6-3-5-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 238.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83260380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).