1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole

C10H8BrF3N2S — CID 64756890

IUPAC1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole
SMILESFC(F)(F)C(Br)Cn1ccnc1-c1cccs1
InChIInChI=1S/C10H8BrF3N2S/c11-8(10(12,13)14)6-16-4-3-15-9(16)7-2-1-5-17-7/h1-5,8H,6H2
InChIKeyDYJBLTLOQRCJBP-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.94
Rot. Bonds3

About 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole

1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole (PubChem CID 64756890) has the molecular formula C10H8BrF3N2S and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole
PubChem CID64756890
Molecular FormulaC10H8BrF3N2S
Molecular Weight325.15 g/mol
Exact Mass323.95
IUPAC Name1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole
SMILESFC(F)(F)C(Br)Cn1ccnc1-c1cccs1
InChIInChI=1S/C10H8BrF3N2S/c11-8(10(12,13)14)6-16-4-3-15-9(16)7-2-1-5-17-7/h1-5,8H,6H2
InChIKeyDYJBLTLOQRCJBP-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole (CID 64756890) is 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole is FC(F)(F)C(Br)Cn1ccnc1-c1cccs1.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole?
The InChIKey is DYJBLTLOQRCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2S/c11-8(10(12,13)14)6-16-4-3-15-9(16)7-2-1-5-17-7/h1-5,8H,6H2.
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole?
1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole has a molecular weight of 325.15 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 64756890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).