2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole

C9H10F2N2 — CID 174337341

IUPAC2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole
SMILESC/C=C\c1[nH]c(F)nc1/C(F)=C\C
InChIInChI=1S/C9H10F2N2/c1-3-5-7-8(6(10)4-2)13-9(11)12-7/h3-5H,1-2H3,(H,12,13)/b5-3-,6-4+
InChIKeyNRXQSCDUBAEYOI-CIIODKQPSA-N
MW184.19 g/mol
LogP2.91
Rot. Bonds2

About 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole

2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole (PubChem CID 174337341) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole
PubChem CID174337341
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole
SMILESC/C=C\c1[nH]c(F)nc1/C(F)=C\C
InChIInChI=1S/C9H10F2N2/c1-3-5-7-8(6(10)4-2)13-9(11)12-7/h3-5H,1-2H3,(H,12,13)/b5-3-,6-4+
InChIKeyNRXQSCDUBAEYOI-CIIODKQPSA-N
XLogP2.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole?
The IUPAC name of 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole (CID 174337341) is 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole.
What is the SMILES notation for 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole?
The canonical SMILES for 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole is C/C=C\c1[nH]c(F)nc1/C(F)=C\C.
What is the InChIKey of 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole?
The InChIKey is NRXQSCDUBAEYOI-CIIODKQPSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-3-5-7-8(6(10)4-2)13-9(11)12-7/h3-5H,1-2H3,(H,12,13)/b5-3-,6-4+.
What are the key properties of 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole?
2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole has a molecular weight of 184.19 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole is sourced from PubChem (CID 174337341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).