4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline

C20H18F2NO2P — CID 176895477

IUPAC4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline
SMILESC=C(C)COP(=O)(c1ccccc1)c1cc(C(F)F)c2ccccc2n1
InChIInChI=1S/C20H18F2NO2P/c1-14(2)13-25-26(24,15-8-4-3-5-9-15)19-12-17(20(21)22)16-10-6-7-11-18(16)23-19/h3-12,20H,1,13H2,2H3
InChIKeyQQCNNGYRKDLAGJ-UHFFFAOYSA-N
MW373.34 g/mol
LogP4.99
Rot. Bonds6

About 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline

4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline (PubChem CID 176895477) has the molecular formula C20H18F2NO2P and a molecular weight of 373.34 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline.

Molecular Properties

Compound Name4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline
PubChem CID176895477
Molecular FormulaC20H18F2NO2P
Molecular Weight373.34 g/mol
Exact Mass373.10
IUPAC Name4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline
SMILESC=C(C)COP(=O)(c1ccccc1)c1cc(C(F)F)c2ccccc2n1
InChIInChI=1S/C20H18F2NO2P/c1-14(2)13-25-26(24,15-8-4-3-5-9-15)19-12-17(20(21)22)16-10-6-7-11-18(16)23-19/h3-12,20H,1,13H2,2H3
InChIKeyQQCNNGYRKDLAGJ-UHFFFAOYSA-N
XLogP4.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline?
The IUPAC name of 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline (CID 176895477) is 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline.
What is the SMILES notation for 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline?
The canonical SMILES for 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline is C=C(C)COP(=O)(c1ccccc1)c1cc(C(F)F)c2ccccc2n1.
What is the InChIKey of 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline?
The InChIKey is QQCNNGYRKDLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2NO2P/c1-14(2)13-25-26(24,15-8-4-3-5-9-15)19-12-17(20(21)22)16-10-6-7-11-18(16)23-19/h3-12,20H,1,13H2,2H3.
What are the key properties of 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline?
4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline has a molecular weight of 373.34 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline is sourced from PubChem (CID 176895477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).