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

C10H17F3N2OS — CID 134380724

IUPACtrimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane
SMILESCS(C)(C)CCOCn1ccnc1C(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c1-17(2,3)7-6-16-8-15-5-4-14-9(15)10(11,12)13/h4-5H,6-8H2,1-3H3
InChIKeyCBHQNXMDBMKTBK-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.57
Rot. Bonds5

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

trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane (PubChem CID 134380724) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane
PubChem CID134380724
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Nametrimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane
SMILESCS(C)(C)CCOCn1ccnc1C(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c1-17(2,3)7-6-16-8-15-5-4-14-9(15)10(11,12)13/h4-5H,6-8H2,1-3H3
InChIKeyCBHQNXMDBMKTBK-UHFFFAOYSA-N
XLogP2.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.57
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-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The IUPAC name of trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane (CID 134380724) is trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane is CS(C)(C)CCOCn1ccnc1C(F)(F)F.
What is the InChIKey of trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The InChIKey is CBHQNXMDBMKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-17(2,3)7-6-16-8-15-5-4-14-9(15)10(11,12)13/h4-5H,6-8H2,1-3H3.
What are the key properties of trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane?
trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane has a molecular weight of 270.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-λ4-sulfane is sourced from PubChem (CID 134380724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).