1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole

C8H9F3N2 — CID 121329221

IUPAC1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole
SMILESC/C=C/c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C8H9F3N2/c1-3-4-7-12-6(5-13(7)2)8(9,10)11/h3-5H,1-2H3/b4-3+
InChIKeyCQHCUXBSAMPFCD-ONEGZZNKSA-N
MW190.17 g/mol
LogP2.47
Rot. Bonds1

About 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole

1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole (PubChem CID 121329221) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole
PubChem CID121329221
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole
SMILESC/C=C/c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C8H9F3N2/c1-3-4-7-12-6(5-13(7)2)8(9,10)11/h3-5H,1-2H3/b4-3+
InChIKeyCQHCUXBSAMPFCD-ONEGZZNKSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole (CID 121329221) is 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole is C/C=C/c1nc(C(F)(F)F)cn1C.
What is the InChIKey of 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole?
The InChIKey is CQHCUXBSAMPFCD-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-3-4-7-12-6(5-13(7)2)8(9,10)11/h3-5H,1-2H3/b4-3+.
What are the key properties of 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole?
1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole has a molecular weight of 190.17 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 121329221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).