2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine

C15H21F3N2 — CID 129100146

IUPAC2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)(C)c1ccc2c(n1)CCN(CCC(F)(F)F)C2
InChIInChI=1S/C15H21F3N2/c1-14(2,3)13-5-4-11-10-20(8-6-12(11)19-13)9-7-15(16,17)18/h4-5H,6-10H2,1-3H3
InChIKeyDDHXUVULOLUEFZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.69
Rot. Bonds2

About 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine

2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 129100146) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID129100146
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)(C)c1ccc2c(n1)CCN(CCC(F)(F)F)C2
InChIInChI=1S/C15H21F3N2/c1-14(2,3)13-5-4-11-10-20(8-6-12(11)19-13)9-7-15(16,17)18/h4-5H,6-10H2,1-3H3
InChIKeyDDHXUVULOLUEFZ-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 129100146) is 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine is CC(C)(C)c1ccc2c(n1)CCN(CCC(F)(F)F)C2.
What is the InChIKey of 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is DDHXUVULOLUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-14(2,3)13-5-4-11-10-20(8-6-12(11)19-13)9-7-15(16,17)18/h4-5H,6-10H2,1-3H3.
What are the key properties of 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine?
2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 286.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 129100146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).