1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine

C8H12F3N3O — CID 165473463

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine
SMILESNc1nccn1CCCOCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)6-15-5-1-3-14-4-2-13-7(14)12/h2,4H,1,3,5-6H2,(H2,12,13)
InChIKeyDZFFZFKAYXHPCZ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.43
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine

1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine (PubChem CID 165473463) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine
PubChem CID165473463
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine
SMILESNc1nccn1CCCOCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)6-15-5-1-3-14-4-2-13-7(14)12/h2,4H,1,3,5-6H2,(H2,12,13)
InChIKeyDZFFZFKAYXHPCZ-UHFFFAOYSA-N
XLogP1.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine (CID 165473463) is 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine is Nc1nccn1CCCOCC(F)(F)F.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine?
The InChIKey is DZFFZFKAYXHPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)6-15-5-1-3-14-4-2-13-7(14)12/h2,4H,1,3,5-6H2,(H2,12,13).
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine?
1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine has a molecular weight of 223.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine is sourced from PubChem (CID 165473463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).