1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine

C7H11F2N3 — CID 106718378

IUPAC1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC(F)F)cn1
InChIInChI=1S/C7H11F2N3/c1-10-2-6-3-12(5-11-6)4-7(8)9/h3,5,7,10H,2,4H2,1H3
InChIKeyIXNNHDRBFBQOFJ-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.87
Rot. Bonds4

About 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine

1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 106718378) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID106718378
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC(F)F)cn1
InChIInChI=1S/C7H11F2N3/c1-10-2-6-3-12(5-11-6)4-7(8)9/h3,5,7,10H,2,4H2,1H3
InChIKeyIXNNHDRBFBQOFJ-UHFFFAOYSA-N
XLogP0.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine (CID 106718378) is 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine is CNCc1cn(CC(F)F)cn1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is IXNNHDRBFBQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-10-2-6-3-12(5-11-6)4-7(8)9/h3,5,7,10H,2,4H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine?
1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 175.18 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106718378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).