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

C14H22F3N3O — CID 64856968

IUPAC2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CCOCC(F)(F)F)CCNC2
InChIInChI=1S/C14H22F3N3O/c1-13(2,3)12-19-10-8-18-5-4-11(10)20(12)6-7-21-9-14(15,16)17/h18H,4-9H2,1-3H3
InChIKeyIXJFEKQSHCTPPW-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.41
Rot. Bonds4

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

2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856968) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856968
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CCOCC(F)(F)F)CCNC2
InChIInChI=1S/C14H22F3N3O/c1-13(2,3)12-19-10-8-18-5-4-11(10)20(12)6-7-21-9-14(15,16)17/h18H,4-9H2,1-3H3
InChIKeyIXJFEKQSHCTPPW-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.41
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 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856968) is 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)(C)c1nc2c(n1CCOCC(F)(F)F)CCNC2.
What is the InChIKey of 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is IXJFEKQSHCTPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-13(2,3)12-19-10-8-18-5-4-11(10)20(12)6-7-21-9-14(15,16)17/h18H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 305.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).