1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C10H14F3N3O — CID 64854363

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)COCCn1cnc2c1CCNC2
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)6-17-4-3-16-7-15-8-5-14-2-1-9(8)16/h7,14H,1-6H2
InChIKeyMCEIQRREQSIIBD-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.11
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64854363) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64854363
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)COCCn1cnc2c1CCNC2
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)6-17-4-3-16-7-15-8-5-14-2-1-9(8)16/h7,14H,1-6H2
InChIKeyMCEIQRREQSIIBD-UHFFFAOYSA-N
XLogP1.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.11
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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Related Compounds

1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 929096
3-methyl-3H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 75537372
1-methyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 13150255
1-cyclopropyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine
CID 47002848
1-cyclobutyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine
CID 64854182
3-Methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-C]pyridine
CID 21330745
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine
CID 45096982
1-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617555
1-Methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617556
1,4-Dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617565
1-(Trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 118875602
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
CID 131884213

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64854363) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)(F)COCCn1cnc2c1CCNC2.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MCEIQRREQSIIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)6-17-4-3-16-7-15-8-5-14-2-1-9(8)16/h7,14H,1-6H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 249.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64854363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).