1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole

C7H8F2N2 — CID 123263029

IUPAC1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole
SMILESC=c1ncn(CC(F)F)c1=C
InChIInChI=1S/C7H8F2N2/c1-5-6(2)11(4-10-5)3-7(8)9/h4,7H,1-3H2
InChIKeyIXOXMACWEJJGPE-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.03
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole

1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole (PubChem CID 123263029) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole
PubChem CID123263029
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole
SMILESC=c1ncn(CC(F)F)c1=C
InChIInChI=1S/C7H8F2N2/c1-5-6(2)11(4-10-5)3-7(8)9/h4,7H,1-3H2
InChIKeyIXOXMACWEJJGPE-UHFFFAOYSA-N
XLogP-0.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Fluoromethyl)-4,5-dimethylideneimidazole
CID 123863810
1-(difluoromethyl)-5-methylidene-4H-imidazole
CID 141791514

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole (CID 123263029) is 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole is C=c1ncn(CC(F)F)c1=C.
What is the InChIKey of 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole?
The InChIKey is IXOXMACWEJJGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c1-5-6(2)11(4-10-5)3-7(8)9/h4,7H,1-3H2.
What are the key properties of 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole?
1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole has a molecular weight of 158.15 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4,5-dimethylideneimidazole is sourced from PubChem (CID 123263029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).