2-ethyl-1,4-difluoro-5-methylimidazole

C6H8F2N2 — CID 174754332

IUPAC2-ethyl-1,4-difluoro-5-methylimidazole
SMILESCCc1nc(F)c(C)n1F
InChIInChI=1S/C6H8F2N2/c1-3-5-9-6(7)4(2)10(5)8/h3H2,1-2H3
InChIKeyJDEUIMFIACLCDE-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.63
Rot. Bonds1

About 2-ethyl-1,4-difluoro-5-methylimidazole

2-ethyl-1,4-difluoro-5-methylimidazole (PubChem CID 174754332) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-ethyl-1,4-difluoro-5-methylimidazole.

Molecular Properties

Compound Name2-ethyl-1,4-difluoro-5-methylimidazole
PubChem CID174754332
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name2-ethyl-1,4-difluoro-5-methylimidazole
SMILESCCc1nc(F)c(C)n1F
InChIInChI=1S/C6H8F2N2/c1-3-5-9-6(7)4(2)10(5)8/h3H2,1-2H3
InChIKeyJDEUIMFIACLCDE-UHFFFAOYSA-N
XLogP1.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2,4,5-Trimethyl-1H-imidazol-1-OL
CID 3271952
1,2,3,4,5-Pentamethylimidazol-1-ium
CID 11032788
1-Iodo-2,4,5-trimethylimidazole
CID 68788797
Imidazole, 4-fluoro-5-methyl-2-trifluoromethyl-
CID 597804
4-fluoro-2-methyl-5-(trifluoromethyl)-1H-imidazole
CID 10487289
4-Fluoro-1-iodo-2,5-dimethylimidazole
CID 59576014
1,2,5-Trifluoro-4-methylimidazole
CID 68646609
4-fluoro-2,5-dimethyl-1H-imidazole
CID 117916347
1-Ethyl-5-fluoro-2-methylimidazole-4-carbonitrile
CID 139378922
1,2-Diethyl-5-methyl-4-(trifluoromethyl)imidazole
CID 145385909

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-difluoro-5-methylimidazole?
The IUPAC name of 2-ethyl-1,4-difluoro-5-methylimidazole (CID 174754332) is 2-ethyl-1,4-difluoro-5-methylimidazole.
What is the SMILES notation for 2-ethyl-1,4-difluoro-5-methylimidazole?
The canonical SMILES for 2-ethyl-1,4-difluoro-5-methylimidazole is CCc1nc(F)c(C)n1F.
What is the InChIKey of 2-ethyl-1,4-difluoro-5-methylimidazole?
The InChIKey is JDEUIMFIACLCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-3-5-9-6(7)4(2)10(5)8/h3H2,1-2H3.
What are the key properties of 2-ethyl-1,4-difluoro-5-methylimidazole?
2-ethyl-1,4-difluoro-5-methylimidazole has a molecular weight of 146.14 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-difluoro-5-methylimidazole is sourced from PubChem (CID 174754332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).