2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine

C18H36F2N2O2 — CID 139932632

IUPAC2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine
SMILESCCCC1N(CCOC)C(F)(F)N(CCOC)C1(CCC)CCC
InChIInChI=1S/C18H36F2N2O2/c1-6-9-16-17(10-7-2,11-8-3)22(13-15-24-5)18(19,20)21(16)12-14-23-4/h16H,6-15H2,1-5H3
InChIKeyRSBQGCIKLVBRSW-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.95
Rot. Bonds12

About 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine

2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine (PubChem CID 139932632) has the molecular formula C18H36F2N2O2 and a molecular weight of 350.49 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine
PubChem CID139932632
Molecular FormulaC18H36F2N2O2
Molecular Weight350.49 g/mol
Exact Mass350.27
IUPAC Name2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine
SMILESCCCC1N(CCOC)C(F)(F)N(CCOC)C1(CCC)CCC
InChIInChI=1S/C18H36F2N2O2/c1-6-9-16-17(10-7-2,11-8-3)22(13-15-24-5)18(19,20)21(16)12-14-23-4/h16H,6-15H2,1-5H3
InChIKeyRSBQGCIKLVBRSW-UHFFFAOYSA-N
XLogP3.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine (CID 139932632) is 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine is CCCC1N(CCOC)C(F)(F)N(CCOC)C1(CCC)CCC.
What is the InChIKey of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine?
The InChIKey is RSBQGCIKLVBRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36F2N2O2/c1-6-9-16-17(10-7-2,11-8-3)22(13-15-24-5)18(19,20)21(16)12-14-23-4/h16H,6-15H2,1-5H3.
What are the key properties of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine?
2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine has a molecular weight of 350.49 g/mol, XLogP of 3.95, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine is sourced from PubChem (CID 139932632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).