N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide

C8H18FN2O2P — CID 139033607

IUPACN'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide
SMILESCCOP(=O)(F)N=C(C)N(CC)CC
InChIInChI=1S/C8H18FN2O2P/c1-5-11(6-2)8(4)10-14(9,12)13-7-3/h5-7H2,1-4H3
InChIKeySBPSVLLDDYOPDZ-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.86
Rot. Bonds5

About N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide

N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide (PubChem CID 139033607) has the molecular formula C8H18FN2O2P and a molecular weight of 224.22 g/mol. Its IUPAC name is N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide.

Molecular Properties

Compound NameN'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide
PubChem CID139033607
Molecular FormulaC8H18FN2O2P
Molecular Weight224.22 g/mol
Exact Mass224.11
IUPAC NameN'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide
SMILESCCOP(=O)(F)N=C(C)N(CC)CC
InChIInChI=1S/C8H18FN2O2P/c1-5-11(6-2)8(4)10-14(9,12)13-7-3/h5-7H2,1-4H3
InChIKeySBPSVLLDDYOPDZ-UHFFFAOYSA-N
XLogP2.86
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide?
The IUPAC name of N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide (CID 139033607) is N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide.
What is the SMILES notation for N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide?
The canonical SMILES for N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide is CCOP(=O)(F)N=C(C)N(CC)CC.
What is the InChIKey of N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide?
The InChIKey is SBPSVLLDDYOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN2O2P/c1-5-11(6-2)8(4)10-14(9,12)13-7-3/h5-7H2,1-4H3.
What are the key properties of N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide?
N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide has a molecular weight of 224.22 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide is sourced from PubChem (CID 139033607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).