1-(2,2-difluoroethyl)imidazol-2-amine

C5H7F2N3 — CID 106578224

IUPAC1-(2,2-difluoroethyl)imidazol-2-amine
SMILESNc1nccn1CC(F)F
InChIInChI=1S/C5H7F2N3/c6-4(7)3-10-2-1-9-5(10)8/h1-2,4H,3H2,(H2,8,9)
InChIKeyHFLHVKUJAHCLFU-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.73
Rot. Bonds2

About 1-(2,2-difluoroethyl)imidazol-2-amine

1-(2,2-difluoroethyl)imidazol-2-amine (PubChem CID 106578224) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)imidazol-2-amine
PubChem CID106578224
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name1-(2,2-difluoroethyl)imidazol-2-amine
SMILESNc1nccn1CC(F)F
InChIInChI=1S/C5H7F2N3/c6-4(7)3-10-2-1-9-5(10)8/h1-2,4H,3H2,(H2,8,9)
InChIKeyHFLHVKUJAHCLFU-UHFFFAOYSA-N
XLogP0.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)imidazol-2-amine?
The IUPAC name of 1-(2,2-difluoroethyl)imidazol-2-amine (CID 106578224) is 1-(2,2-difluoroethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)imidazol-2-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)imidazol-2-amine is Nc1nccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)imidazol-2-amine?
The InChIKey is HFLHVKUJAHCLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c6-4(7)3-10-2-1-9-5(10)8/h1-2,4H,3H2,(H2,8,9).
What are the key properties of 1-(2,2-difluoroethyl)imidazol-2-amine?
1-(2,2-difluoroethyl)imidazol-2-amine has a molecular weight of 147.13 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)imidazol-2-amine is sourced from PubChem (CID 106578224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).