N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide

C17H17F3NO6P — CID 86742078

IUPACN-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccccc1OP(=O)(CNC(=O)C(F)(F)F)Oc1ccccc1OC
InChIInChI=1S/C17H17F3NO6P/c1-24-12-7-3-5-9-14(12)26-28(23,11-21-16(22)17(18,19)20)27-15-10-6-4-8-13(15)25-2/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyVQSMHJOMDDXTLH-UHFFFAOYSA-N
MW419.29 g/mol
LogP3.99
Rot. Bonds8

About N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide

N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide (PubChem CID 86742078) has the molecular formula C17H17F3NO6P and a molecular weight of 419.29 g/mol. Its IUPAC name is N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide
PubChem CID86742078
Molecular FormulaC17H17F3NO6P
Molecular Weight419.29 g/mol
Exact Mass419.07
IUPAC NameN-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccccc1OP(=O)(CNC(=O)C(F)(F)F)Oc1ccccc1OC
InChIInChI=1S/C17H17F3NO6P/c1-24-12-7-3-5-9-14(12)26-28(23,11-21-16(22)17(18,19)20)27-15-10-6-4-8-13(15)25-2/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyVQSMHJOMDDXTLH-UHFFFAOYSA-N
XLogP3.99
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide (CID 86742078) is N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide is COc1ccccc1OP(=O)(CNC(=O)C(F)(F)F)Oc1ccccc1OC.
What is the InChIKey of N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide?
The InChIKey is VQSMHJOMDDXTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3NO6P/c1-24-12-7-3-5-9-14(12)26-28(23,11-21-16(22)17(18,19)20)27-15-10-6-4-8-13(15)25-2/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide?
N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide has a molecular weight of 419.29 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-methoxyphenoxy)phosphorylmethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86742078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).