4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C14H19F3NO3P — CID 23206537

IUPAC4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCCOP(=O)(OCC)C1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H19F3NO3P/c1-3-20-22(19,21-4-2)13-7-8-18-12-6-5-10(9-11(12)13)14(15,16)17/h5-6,9,13,18H,3-4,7-8H2,1-2H3
InChIKeyWHYXBRBRICPGTH-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.83
Rot. Bonds5

About 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 23206537) has the molecular formula C14H19F3NO3P and a molecular weight of 337.28 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID23206537
Molecular FormulaC14H19F3NO3P
Molecular Weight337.28 g/mol
Exact Mass337.11
IUPAC Name4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCCOP(=O)(OCC)C1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H19F3NO3P/c1-3-20-22(19,21-4-2)13-7-8-18-12-6-5-10(9-11(12)13)14(15,16)17/h5-6,9,13,18H,3-4,7-8H2,1-2H3
InChIKeyWHYXBRBRICPGTH-UHFFFAOYSA-N
XLogP4.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 23206537) is 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is CCOP(=O)(OCC)C1CCNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WHYXBRBRICPGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3NO3P/c1-3-20-22(19,21-4-2)13-7-8-18-12-6-5-10(9-11(12)13)14(15,16)17/h5-6,9,13,18H,3-4,7-8H2,1-2H3.
What are the key properties of 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 337.28 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 23206537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).