1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine

C9H14F3N3O — CID 106721235

IUPAC1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3O/c1-7(13)4-8-5-15(6-14-8)2-3-16-9(10,11)12/h5-7H,2-4,13H2,1H3
InChIKeyWRBXWFZLKNFSKE-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.31
Rot. Bonds5

About 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine

1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721235) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine
PubChem CID106721235
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3O/c1-7(13)4-8-5-15(6-14-8)2-3-16-9(10,11)12/h5-7H,2-4,13H2,1H3
InChIKeyWRBXWFZLKNFSKE-UHFFFAOYSA-N
XLogP1.31
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine (CID 106721235) is 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(CCOC(F)(F)F)cn1.
What is the InChIKey of 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine?
The InChIKey is WRBXWFZLKNFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-7(13)4-8-5-15(6-14-8)2-3-16-9(10,11)12/h5-7H,2-4,13H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine?
1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).