N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine

C11H16F3N3O — CID 55048618

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCn1ccnc1CNC1CC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-18-6-5-17-4-3-15-10(17)7-16-9-1-2-9/h3-4,9,16H,1-2,5-8H2
InChIKeyUYFGHMFUQCZRFY-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.71
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 55048618) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine
PubChem CID55048618
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCn1ccnc1CNC1CC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-18-6-5-17-4-3-15-10(17)7-16-9-1-2-9/h3-4,9,16H,1-2,5-8H2
InChIKeyUYFGHMFUQCZRFY-UHFFFAOYSA-N
XLogP1.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.71
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 N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine (CID 55048618) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine is FC(F)(F)COCCn1ccnc1CNC1CC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is UYFGHMFUQCZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)8-18-6-5-17-4-3-15-10(17)7-16-9-1-2-9/h3-4,9,16H,1-2,5-8H2.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 263.26 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55048618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).