8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine

C25H26F2NO5P — CID 10184838

IUPAC8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine
SMILESCc1ncc(C(F)(F)P(=O)(OCc2ccccc2)OCc2ccccc2)c2c1OC(C)(C)CO2
InChIInChI=1S/C25H26F2NO5P/c1-18-22-23(30-17-24(2,3)33-22)21(14-28-18)25(26,27)34(29,31-15-19-10-6-4-7-11-19)32-16-20-12-8-5-9-13-20/h4-14H,15-17H2,1-3H3
InChIKeyOVMDWKVNNSBEQU-UHFFFAOYSA-N
MW489.46 g/mol
LogP6.62
Rot. Bonds8

About 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine

8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine (PubChem CID 10184838) has the molecular formula C25H26F2NO5P and a molecular weight of 489.46 g/mol. Its IUPAC name is 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine
PubChem CID10184838
Molecular FormulaC25H26F2NO5P
Molecular Weight489.46 g/mol
Exact Mass489.15
IUPAC Name8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine
SMILESCc1ncc(C(F)(F)P(=O)(OCc2ccccc2)OCc2ccccc2)c2c1OC(C)(C)CO2
InChIInChI=1S/C25H26F2NO5P/c1-18-22-23(30-17-24(2,3)33-22)21(14-28-18)25(26,27)34(29,31-15-19-10-6-4-7-11-19)32-16-20-12-8-5-9-13-20/h4-14H,15-17H2,1-3H3
InChIKeyOVMDWKVNNSBEQU-UHFFFAOYSA-N
XLogP6.62
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine (CID 10184838) is 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine is Cc1ncc(C(F)(F)P(=O)(OCc2ccccc2)OCc2ccccc2)c2c1OC(C)(C)CO2.
What is the InChIKey of 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is OVMDWKVNNSBEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2NO5P/c1-18-22-23(30-17-24(2,3)33-22)21(14-28-18)25(26,27)34(29,31-15-19-10-6-4-7-11-19)32-16-20-12-8-5-9-13-20/h4-14H,15-17H2,1-3H3.
What are the key properties of 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine?
8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 489.46 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(phenylmethoxy)phosphoryl-difluoromethyl]-3,3,5-trimethyl-2H-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 10184838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).