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

C13H12F14N2O3 — CID 139925703

IUPAC1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOC(F)(F)C(F)(F)C(F)(F)F)CCN1CCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H12F14N2O3/c14-8(15,10(18,19)20)12(24,25)31-5-3-28-1-2-29(7(28)30)4-6-32-13(26,27)9(16,17)11(21,22)23/h1-6H2
InChIKeyWSJPBXSHVRJQLN-UHFFFAOYSA-N
MW510.22 g/mol
LogP4.34
Rot. Bonds10

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

1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one (PubChem CID 139925703) has the molecular formula C13H12F14N2O3 and a molecular weight of 510.22 g/mol. Its IUPAC name is 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one
PubChem CID139925703
Molecular FormulaC13H12F14N2O3
Molecular Weight510.22 g/mol
Exact Mass510.06
IUPAC Name1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOC(F)(F)C(F)(F)C(F)(F)F)CCN1CCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H12F14N2O3/c14-8(15,10(18,19)20)12(24,25)31-5-3-28-1-2-29(7(28)30)4-6-32-13(26,27)9(16,17)11(21,22)23/h1-6H2
InChIKeyWSJPBXSHVRJQLN-UHFFFAOYSA-N
XLogP4.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione
CID 99826315
3-Cyclopropyl-1-ethyl-4-(2,2,2-trifluoroethoxy)imidazolidin-2-one
CID 60000029
1,3-Bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
CID 139925594
1,3-Bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925605
4,4,5-Trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925607
1,3-Bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
CID 139925611
1-(2-Methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925654
1-(2-Methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one
CID 139925658
4-Fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925660
4-Methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925670
4,4-Difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one
CID 139925680
1,3-Bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one
CID 139925683

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one (CID 139925703) is 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one is O=C1N(CCOC(F)(F)C(F)(F)C(F)(F)F)CCN1CCOC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one?
The InChIKey is WSJPBXSHVRJQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F14N2O3/c14-8(15,10(18,19)20)12(24,25)31-5-3-28-1-2-29(7(28)30)4-6-32-13(26,27)9(16,17)11(21,22)23/h1-6H2.
What are the key properties of 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one?
1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one has a molecular weight of 510.22 g/mol, XLogP of 4.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).