trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane

C11H19F3N2OS — CID 170633058

IUPACtrimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane
SMILESCc1nc(C(F)(F)F)cn1COCCS(C)(C)C
InChIInChI=1S/C11H19F3N2OS/c1-9-15-10(11(12,13)14)7-16(9)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyZOFVPPBGXJWRMV-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.88
Rot. Bonds5

About trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane

trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane (PubChem CID 170633058) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane
PubChem CID170633058
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Nametrimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane
SMILESCc1nc(C(F)(F)F)cn1COCCS(C)(C)C
InChIInChI=1S/C11H19F3N2OS/c1-9-15-10(11(12,13)14)7-16(9)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyZOFVPPBGXJWRMV-UHFFFAOYSA-N
XLogP2.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The IUPAC name of trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane (CID 170633058) is trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane is Cc1nc(C(F)(F)F)cn1COCCS(C)(C)C.
What is the InChIKey of trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The InChIKey is ZOFVPPBGXJWRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-9-15-10(11(12,13)14)7-16(9)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane?
trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane has a molecular weight of 284.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane is sourced from PubChem (CID 170633058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).