2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine

C13H20F8N2O2 — CID 139932678

IUPAC2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine
SMILESCCC(C(C)OC)N1CC(C(F)(F)F)N(CCOC(F)(F)F)C1(F)F
InChIInChI=1S/C13H20F8N2O2/c1-4-9(8(2)24-3)23-7-10(11(14,15)16)22(13(23,20)21)5-6-25-12(17,18)19/h8-10H,4-7H2,1-3H3
InChIKeyUOFLYZCPUYWASB-UHFFFAOYSA-N
MW388.30 g/mol
LogP3.44
Rot. Bonds7

About 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine

2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine (PubChem CID 139932678) has the molecular formula C13H20F8N2O2 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine
PubChem CID139932678
Molecular FormulaC13H20F8N2O2
Molecular Weight388.30 g/mol
Exact Mass388.14
IUPAC Name2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine
SMILESCCC(C(C)OC)N1CC(C(F)(F)F)N(CCOC(F)(F)F)C1(F)F
InChIInChI=1S/C13H20F8N2O2/c1-4-9(8(2)24-3)23-7-10(11(14,15)16)22(13(23,20)21)5-6-25-12(17,18)19/h8-10H,4-7H2,1-3H3
InChIKeyUOFLYZCPUYWASB-UHFFFAOYSA-N
XLogP3.44
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 53.44
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-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine?
The IUPAC name of 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine (CID 139932678) is 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine is CCC(C(C)OC)N1CC(C(F)(F)F)N(CCOC(F)(F)F)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine?
The InChIKey is UOFLYZCPUYWASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F8N2O2/c1-4-9(8(2)24-3)23-7-10(11(14,15)16)22(13(23,20)21)5-6-25-12(17,18)19/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine?
2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine has a molecular weight of 388.30 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine is sourced from PubChem (CID 139932678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).