2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine

C8H12F3N3 — CID 62350352

IUPAC2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESCc1ncn(C(CN)C(F)(F)F)c1C
InChIInChI=1S/C8H12F3N3/c1-5-6(2)14(4-13-5)7(3-12)8(9,10)11/h4,7H,3,12H2,1-2H3
InChIKeySATXWAGELHJCQD-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.56
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine

2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 62350352) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID62350352
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESCc1ncn(C(CN)C(F)(F)F)c1C
InChIInChI=1S/C8H12F3N3/c1-5-6(2)14(4-13-5)7(3-12)8(9,10)11/h4,7H,3,12H2,1-2H3
InChIKeySATXWAGELHJCQD-UHFFFAOYSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine (CID 62350352) is 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine is Cc1ncn(C(CN)C(F)(F)F)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is SATXWAGELHJCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5-6(2)14(4-13-5)7(3-12)8(9,10)11/h4,7H,3,12H2,1-2H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine?
2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 62350352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).