4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole

C8H8F6N2S — CID 25211509

IUPAC4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole
SMILESFC(F)(F)CCSCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C8H8F6N2S/c9-7(10,11)1-2-17-5-16-3-6(15-4-16)8(12,13)14/h3-4H,1-2,5H2
InChIKeyAYEWMPJGFFUVAK-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.55
Rot. Bonds4

About 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole

4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole (PubChem CID 25211509) has the molecular formula C8H8F6N2S and a molecular weight of 278.22 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole
PubChem CID25211509
Molecular FormulaC8H8F6N2S
Molecular Weight278.22 g/mol
Exact Mass278.03
IUPAC Name4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole
SMILESFC(F)(F)CCSCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C8H8F6N2S/c9-7(10,11)1-2-17-5-16-3-6(15-4-16)8(12,13)14/h3-4H,1-2,5H2
InChIKeyAYEWMPJGFFUVAK-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.55
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 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole?
The IUPAC name of 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole (CID 25211509) is 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole.
What is the SMILES notation for 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole?
The canonical SMILES for 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole is FC(F)(F)CCSCn1cnc(C(F)(F)F)c1.
What is the InChIKey of 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole?
The InChIKey is AYEWMPJGFFUVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2S/c9-7(10,11)1-2-17-5-16-3-6(15-4-16)8(12,13)14/h3-4H,1-2,5H2.
What are the key properties of 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole?
4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole has a molecular weight of 278.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-(3,3,3-trifluoropropylsulfanylmethyl)imidazole is sourced from PubChem (CID 25211509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).