2-cyanoethoxy(fluoro)phosphinic acid

C3H5FNO3P — CID 175605230

IUPAC2-cyanoethoxy(fluoro)phosphinic acid
SMILESN#CCCOP(=O)(O)F
InChIInChI=1S/C3H5FNO3P/c4-9(6,7)8-3-1-2-5/h1,3H2,(H,6,7)
InChIKeyYVYCAGMJKYBZAV-UHFFFAOYSA-N
MW153.05 g/mol
LogP0.99
Rot. Bonds3

About 2-cyanoethoxy(fluoro)phosphinic acid

2-cyanoethoxy(fluoro)phosphinic acid (PubChem CID 175605230) has the molecular formula C3H5FNO3P and a molecular weight of 153.05 g/mol. Its IUPAC name is 2-cyanoethoxy(fluoro)phosphinic acid.

Molecular Properties

Compound Name2-cyanoethoxy(fluoro)phosphinic acid
PubChem CID175605230
Molecular FormulaC3H5FNO3P
Molecular Weight153.05 g/mol
Exact Mass153.00
IUPAC Name2-cyanoethoxy(fluoro)phosphinic acid
SMILESN#CCCOP(=O)(O)F
InChIInChI=1S/C3H5FNO3P/c4-9(6,7)8-3-1-2-5/h1,3H2,(H,6,7)
InChIKeyYVYCAGMJKYBZAV-UHFFFAOYSA-N
XLogP0.99
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyanoethyl dihydrogen phosphate
CID 78715
2-Cyanoethyl diphosphate
CID 46236602
2-Cyanoethyl phosphate
CID 4064087
2-Cyanoethoxy(fluoro)phosphinous acid
CID 53667520
3-[Difluoro(dihydroxy)-lambda5-phosphanyl]oxypropanenitrile
CID 155355939
3-[2-Cyanoethoxy(fluoro)phosphoryl]oxypropanenitrile
CID 171785503
3-Difluorophosphoryloxypropanenitrile
CID 171785506
2-Cyanoethyl difluoro phosphate
CID 175605221
2-Cyanoethyl fluoro hydrogen phosphate
CID 175605231
2-Cyanoethoxy-hydroxy-oxophosphanium
CID 10920557
2-Cyanoethyl dihydrogen phosphite
CID 14354114
Barium 2-cyanoethylphosphate hydrate
CID 16211285

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy(fluoro)phosphinic acid?
The IUPAC name of 2-cyanoethoxy(fluoro)phosphinic acid (CID 175605230) is 2-cyanoethoxy(fluoro)phosphinic acid.
What is the SMILES notation for 2-cyanoethoxy(fluoro)phosphinic acid?
The canonical SMILES for 2-cyanoethoxy(fluoro)phosphinic acid is N#CCCOP(=O)(O)F.
What is the InChIKey of 2-cyanoethoxy(fluoro)phosphinic acid?
The InChIKey is YVYCAGMJKYBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FNO3P/c4-9(6,7)8-3-1-2-5/h1,3H2,(H,6,7).
What are the key properties of 2-cyanoethoxy(fluoro)phosphinic acid?
2-cyanoethoxy(fluoro)phosphinic acid has a molecular weight of 153.05 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy(fluoro)phosphinic acid is sourced from PubChem (CID 175605230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).