2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine

C18H36F2N2O2 — CID 139932624

IUPAC2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine
SMILESCCC(C(C)OC)N1C(C)C(C)(C)N(C(CC)C(C)OC)C1(F)F
InChIInChI=1S/C18H36F2N2O2/c1-10-15(12(3)23-8)21-14(5)17(6,7)22(18(21,19)20)16(11-2)13(4)24-9/h12-16H,10-11H2,1-9H3
InChIKeyHDMNFIZJNFVKHY-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.95
Rot. Bonds8

About 2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine

2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine (PubChem CID 139932624) 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-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine
PubChem CID139932624
Molecular FormulaC18H36F2N2O2
Molecular Weight350.49 g/mol
Exact Mass350.27
IUPAC Name2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine
SMILESCCC(C(C)OC)N1C(C)C(C)(C)N(C(CC)C(C)OC)C1(F)F
InChIInChI=1S/C18H36F2N2O2/c1-10-15(12(3)23-8)21-14(5)17(6,7)22(18(21,19)20)16(11-2)13(4)24-9/h12-16H,10-11H2,1-9H3
InChIKeyHDMNFIZJNFVKHY-UHFFFAOYSA-N
XLogP3.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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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Related Compounds

4,4-Difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one
CID 139925638
4,4,5-Trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one
CID 139925687
2,2-Difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine
CID 139932591
4-Ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine
CID 139932597
2,2-Difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine
CID 139932598
2,2-Difluoro-1-(2-methoxyethyl)-3-(1-methoxy-3-methylbutan-2-yl)imidazolidine
CID 139932601
2,2-Difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine
CID 139932604
2,2,4,4,5-Pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
CID 139932610
2,2-Difluoro-1-(2-methoxyethyl)-3-(4-methoxyhexan-3-yl)imidazolidine
CID 139932613
2,2-Difluoro-1-(2-methoxyethyl)-3-(2-methoxypentan-3-yl)imidazolidine
CID 139932618
4,4,5,5-Tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
CID 139932621
2,2-Difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine
CID 139932622

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine (CID 139932624) is 2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine is CCC(C(C)OC)N1C(C)C(C)(C)N(C(CC)C(C)OC)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine?
The InChIKey is HDMNFIZJNFVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36F2N2O2/c1-10-15(12(3)23-8)21-14(5)17(6,7)22(18(21,19)20)16(11-2)13(4)24-9/h12-16H,10-11H2,1-9H3.
What are the key properties of 2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine?
2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine has a molecular weight of 350.49 g/mol, XLogP of 3.95, 8 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-methoxypentan-3-yl)-4,4,5-trimethylimidazolidine is sourced from PubChem (CID 139932624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).