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

C5H4Cl2F2N2 — CID 130618806

IUPAC4,5-dichloro-1-(2,2-difluoroethyl)imidazole
SMILESFC(F)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C5H4Cl2F2N2/c6-4-5(7)11(2-10-4)1-3(8)9/h2-3H,1H2
InChIKeyBHVWDWDZCRQREX-UHFFFAOYSA-N
MW201.00 g/mol
LogP2.45
Rot. Bonds2

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

4,5-dichloro-1-(2,2-difluoroethyl)imidazole (PubChem CID 130618806) has the molecular formula C5H4Cl2F2N2 and a molecular weight of 201.00 g/mol. Its IUPAC name is 4,5-dichloro-1-(2,2-difluoroethyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(2,2-difluoroethyl)imidazole
PubChem CID130618806
Molecular FormulaC5H4Cl2F2N2
Molecular Weight201.00 g/mol
Exact Mass199.97
IUPAC Name4,5-dichloro-1-(2,2-difluoroethyl)imidazole
SMILESFC(F)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C5H4Cl2F2N2/c6-4-5(7)11(2-10-4)1-3(8)9/h2-3H,1H2
InChIKeyBHVWDWDZCRQREX-UHFFFAOYSA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.00
LogP ≤ 52.45
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-(2,2-difluoroethyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(2,2-difluoroethyl)imidazole (CID 130618806) is 4,5-dichloro-1-(2,2-difluoroethyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(2,2-difluoroethyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(2,2-difluoroethyl)imidazole is FC(F)Cn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(2,2-difluoroethyl)imidazole?
The InChIKey is BHVWDWDZCRQREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2F2N2/c6-4-5(7)11(2-10-4)1-3(8)9/h2-3H,1H2.
What are the key properties of 4,5-dichloro-1-(2,2-difluoroethyl)imidazole?
4,5-dichloro-1-(2,2-difluoroethyl)imidazole has a molecular weight of 201.00 g/mol, XLogP of 2.45, 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-(2,2-difluoroethyl)imidazole is sourced from PubChem (CID 130618806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).