1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one

C13H12F14N2O3 — CID 139925594

IUPAC1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOC(F)(C(F)(F)F)C(F)(F)F)CCN1CCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H12F14N2O3/c14-8(10(16,17)18,11(19,20)21)31-5-3-28-1-2-29(7(28)30)4-6-32-9(15,12(22,23)24)13(25,26)27/h1-6H2
InChIKeyAJALIBPBOOBQHT-UHFFFAOYSA-N
MW510.22 g/mol
LogP4.34
Rot. Bonds8

About 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one

1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one (PubChem CID 139925594) has the molecular formula C13H12F14N2O3 and a molecular weight of 510.22 g/mol. Its IUPAC name is 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
PubChem CID139925594
Molecular FormulaC13H12F14N2O3
Molecular Weight510.22 g/mol
Exact Mass510.06
IUPAC Name1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOC(F)(C(F)(F)F)C(F)(F)F)CCN1CCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H12F14N2O3/c14-8(10(16,17)18,11(19,20)21)31-5-3-28-1-2-29(7(28)30)4-6-32-9(15,12(22,23)24)13(25,26)27/h1-6H2
InChIKeyAJALIBPBOOBQHT-UHFFFAOYSA-N
XLogP4.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one (CID 139925594) is 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one is O=C1N(CCOC(F)(C(F)(F)F)C(F)(F)F)CCN1CCOC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one?
The InChIKey is AJALIBPBOOBQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F14N2O3/c14-8(10(16,17)18,11(19,20)21)31-5-3-28-1-2-29(7(28)30)4-6-32-9(15,12(22,23)24)13(25,26)27/h1-6H2.
What are the key properties of 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one?
1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one has a molecular weight of 510.22 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).