2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride

C8H10ClF3N2O2S — CID 64565742

IUPAC2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCC(F)(F)F
InChIInChI=1S/C8H10ClF3N2O2S/c1-2-6-13-7(17(9,15)16)5-14(6)4-3-8(10,11)12/h5H,2-4H2,1H3
InChIKeyMUVPWVLDBIIVNT-UHFFFAOYSA-N
MW290.69 g/mol
LogP2.33
Rot. Bonds4

About 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride

2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride (PubChem CID 64565742) has the molecular formula C8H10ClF3N2O2S and a molecular weight of 290.69 g/mol. Its IUPAC name is 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride
PubChem CID64565742
Molecular FormulaC8H10ClF3N2O2S
Molecular Weight290.69 g/mol
Exact Mass290.01
IUPAC Name2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCC(F)(F)F
InChIInChI=1S/C8H10ClF3N2O2S/c1-2-6-13-7(17(9,15)16)5-14(6)4-3-8(10,11)12/h5H,2-4H2,1H3
InChIKeyMUVPWVLDBIIVNT-UHFFFAOYSA-N
XLogP2.33
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride (CID 64565742) is 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CCC(F)(F)F.
What is the InChIKey of 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride?
The InChIKey is MUVPWVLDBIIVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O2S/c1-2-6-13-7(17(9,15)16)5-14(6)4-3-8(10,11)12/h5H,2-4H2,1H3.
What are the key properties of 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride?
2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride has a molecular weight of 290.69 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 64565742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).