1-(fluoromethyl)-4,5-dimethylideneimidazole

C6H7FN2 — CID 123863810

IUPAC1-(fluoromethyl)-4,5-dimethylideneimidazole
SMILESC=c1ncn(CF)c1=C
InChIInChI=1S/C6H7FN2/c1-5-6(2)9(3-7)4-8-5/h4H,1-3H2
InChIKeyMOKURWUEALRITN-UHFFFAOYSA-N
MW126.13 g/mol
LogP-0.37
Rot. Bonds1

About 1-(fluoromethyl)-4,5-dimethylideneimidazole

1-(fluoromethyl)-4,5-dimethylideneimidazole (PubChem CID 123863810) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 1-(fluoromethyl)-4,5-dimethylideneimidazole.

Molecular Properties

Compound Name1-(fluoromethyl)-4,5-dimethylideneimidazole
PubChem CID123863810
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name1-(fluoromethyl)-4,5-dimethylideneimidazole
SMILESC=c1ncn(CF)c1=C
InChIInChI=1S/C6H7FN2/c1-5-6(2)9(3-7)4-8-5/h4H,1-3H2
InChIKeyMOKURWUEALRITN-UHFFFAOYSA-N
XLogP-0.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Difluoroethyl)-4,5-dimethylideneimidazole
CID 123263029
1-(difluoromethyl)-5-methylidene-4H-imidazole
CID 141791514
1,1-Dimethyl-4,5-dimethylideneimidazol-1-ium
CID 123701856
1-Methyl-4,5-dimethylideneimidazole
CID 123744878
3-methylidene-5-(113C)methylidene-(2,4,5-13C3)4H-imidazol-3-ium
CID 171750085

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4,5-dimethylideneimidazole?
The IUPAC name of 1-(fluoromethyl)-4,5-dimethylideneimidazole (CID 123863810) is 1-(fluoromethyl)-4,5-dimethylideneimidazole.
What is the SMILES notation for 1-(fluoromethyl)-4,5-dimethylideneimidazole?
The canonical SMILES for 1-(fluoromethyl)-4,5-dimethylideneimidazole is C=c1ncn(CF)c1=C.
What is the InChIKey of 1-(fluoromethyl)-4,5-dimethylideneimidazole?
The InChIKey is MOKURWUEALRITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-5-6(2)9(3-7)4-8-5/h4H,1-3H2.
What are the key properties of 1-(fluoromethyl)-4,5-dimethylideneimidazole?
1-(fluoromethyl)-4,5-dimethylideneimidazole has a molecular weight of 126.13 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4,5-dimethylideneimidazole is sourced from PubChem (CID 123863810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).