1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C14H20F3N3O — CID 83035905

IUPAC1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1(C)CC(n2c(C(F)(F)F)nc3c2CCNC3)CCO1
InChIInChI=1S/C14H20F3N3O/c1-13(2)7-9(4-6-21-13)20-11-3-5-18-8-10(11)19-12(20)14(15,16)17/h9,18H,3-8H2,1-2H3
InChIKeyUPLJDVCPHAZRCB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.68
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 83035905) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID83035905
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1(C)CC(n2c(C(F)(F)F)nc3c2CCNC3)CCO1
InChIInChI=1S/C14H20F3N3O/c1-13(2)7-9(4-6-21-13)20-11-3-5-18-8-10(11)19-12(20)14(15,16)17/h9,18H,3-8H2,1-2H3
InChIKeyUPLJDVCPHAZRCB-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 83035905) is 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1(C)CC(n2c(C(F)(F)F)nc3c2CCNC3)CCO1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is UPLJDVCPHAZRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-13(2)7-9(4-6-21-13)20-11-3-5-18-8-10(11)19-12(20)14(15,16)17/h9,18H,3-8H2,1-2H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 303.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 83035905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).