1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole

C6H5F3N2 — CID 138505672

IUPAC1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole
SMILESFC(F)(F)/C=C/n1ccnc1
InChIInChI=1S/C6H5F3N2/c7-6(8,9)1-3-11-4-2-10-5-11/h1-5H/b3-1+
InChIKeyVNNCVVJOFBYVEP-HNQUOIGGSA-N
MW162.11 g/mol
LogP1.92
Rot. Bonds1

About 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole

1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole (PubChem CID 138505672) has the molecular formula C6H5F3N2 and a molecular weight of 162.11 g/mol. Its IUPAC name is 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole
PubChem CID138505672
Molecular FormulaC6H5F3N2
Molecular Weight162.11 g/mol
Exact Mass162.04
IUPAC Name1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole
SMILESFC(F)(F)/C=C/n1ccnc1
InChIInChI=1S/C6H5F3N2/c7-6(8,9)1-3-11-4-2-10-5-11/h1-5H/b3-1+
InChIKeyVNNCVVJOFBYVEP-HNQUOIGGSA-N
XLogP1.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole?
The IUPAC name of 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole (CID 138505672) is 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole.
What is the SMILES notation for 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole?
The canonical SMILES for 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole is FC(F)(F)/C=C/n1ccnc1.
What is the InChIKey of 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole?
The InChIKey is VNNCVVJOFBYVEP-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H5F3N2/c7-6(8,9)1-3-11-4-2-10-5-11/h1-5H/b3-1+.
What are the key properties of 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole?
1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole has a molecular weight of 162.11 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3,3-trifluoroprop-1-enyl]imidazole is sourced from PubChem (CID 138505672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).