4,5-dichloro-1-(2-fluoroethyl)imidazole

C5H5Cl2FN2 — CID 127001377

IUPAC4,5-dichloro-1-(2-fluoroethyl)imidazole
SMILESFCCn1cnc(Cl)c1Cl
InChIInChI=1S/C5H5Cl2FN2/c6-4-5(7)10(2-1-8)3-9-4/h3H,1-2H2
InChIKeyPJRSWOSKQLARBT-UHFFFAOYSA-N
MW183.01 g/mol
LogP2.16
Rot. Bonds2

About 4,5-dichloro-1-(2-fluoroethyl)imidazole

4,5-dichloro-1-(2-fluoroethyl)imidazole (PubChem CID 127001377) has the molecular formula C5H5Cl2FN2 and a molecular weight of 183.01 g/mol. Its IUPAC name is 4,5-dichloro-1-(2-fluoroethyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(2-fluoroethyl)imidazole
PubChem CID127001377
Molecular FormulaC5H5Cl2FN2
Molecular Weight183.01 g/mol
Exact Mass181.98
IUPAC Name4,5-dichloro-1-(2-fluoroethyl)imidazole
SMILESFCCn1cnc(Cl)c1Cl
InChIInChI=1S/C5H5Cl2FN2/c6-4-5(7)10(2-1-8)3-9-4/h3H,1-2H2
InChIKeyPJRSWOSKQLARBT-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.01
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(2-fluoroethyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(2-fluoroethyl)imidazole (CID 127001377) is 4,5-dichloro-1-(2-fluoroethyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(2-fluoroethyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(2-fluoroethyl)imidazole is FCCn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(2-fluoroethyl)imidazole?
The InChIKey is PJRSWOSKQLARBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2FN2/c6-4-5(7)10(2-1-8)3-9-4/h3H,1-2H2.
What are the key properties of 4,5-dichloro-1-(2-fluoroethyl)imidazole?
4,5-dichloro-1-(2-fluoroethyl)imidazole has a molecular weight of 183.01 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(2-fluoroethyl)imidazole is sourced from PubChem (CID 127001377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).