7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C18H25F3N2O — CID 163657192

IUPAC7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESFC(F)(F)COCC/C=C\CCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)14-24-13-6-4-2-1-3-5-9-16-11-10-15-8-7-12-22-17(15)23-16/h2,4,10-11H,1,3,5-9,12-14H2,(H,22,23)/b4-2-
InChIKeyIRGXRAXWGHTTNP-RQOWECAXSA-N
MW342.41 g/mol
LogP4.68
Rot. Bonds9

About 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 163657192) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID163657192
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESFC(F)(F)COCC/C=C\CCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)14-24-13-6-4-2-1-3-5-9-16-11-10-15-8-7-12-22-17(15)23-16/h2,4,10-11H,1,3,5-9,12-14H2,(H,22,23)/b4-2-
InChIKeyIRGXRAXWGHTTNP-RQOWECAXSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 163657192) is 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is FC(F)(F)COCC/C=C\CCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is IRGXRAXWGHTTNP-RQOWECAXSA-N. The full InChI is InChI=1S/C18H25F3N2O/c19-18(20,21)14-24-13-6-4-2-1-3-5-9-16-11-10-15-8-7-12-22-17(15)23-16/h2,4,10-11H,1,3,5-9,12-14H2,(H,22,23)/b4-2-.
What are the key properties of 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 342.41 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-8-(2,2,2-trifluoroethoxy)oct-5-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 163657192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).