2-fluoropropylphosphonamidic acid

C3H9FNO2P — CID 87653292

IUPAC2-fluoropropylphosphonamidic acid
SMILESCC(F)CP(N)(=O)O
InChIInChI=1S/C3H9FNO2P/c1-3(4)2-8(5,6)7/h3H,2H2,1H3,(H3,5,6,7)
InChIKeyNSACVXKDJSLKIQ-UHFFFAOYSA-N
MW141.08 g/mol
LogP0.49
Rot. Bonds2

About 2-fluoropropylphosphonamidic acid

2-fluoropropylphosphonamidic acid (PubChem CID 87653292) has the molecular formula C3H9FNO2P and a molecular weight of 141.08 g/mol. Its IUPAC name is 2-fluoropropylphosphonamidic acid.

Molecular Properties

Compound Name2-fluoropropylphosphonamidic acid
PubChem CID87653292
Molecular FormulaC3H9FNO2P
Molecular Weight141.08 g/mol
Exact Mass141.04
IUPAC Name2-fluoropropylphosphonamidic acid
SMILESCC(F)CP(N)(=O)O
InChIInChI=1S/C3H9FNO2P/c1-3(4)2-8(5,6)7/h3H,2H2,1H3,(H3,5,6,7)
InChIKeyNSACVXKDJSLKIQ-UHFFFAOYSA-N
XLogP0.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.08
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylbutylphosphonamidic acid
CID 22717998
[5-phosphono-4-(phosphonomethyl)pentan-2-yl]phosphonic acid
CID 130302922
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
fluoro(2-fluoropropoxy)phosphinic acid
CID 150074483
[(2R)-3-amino-2-fluoropropyl]phosphonic acid
CID 122184355
bis(2-methylpropyl)phosphinic acid
CID 10233207
phosphoric acid;tetrafluorophosphanium
CID 175988540
[(2R)-2-amino-3-methylbutyl]phosphonic acid
CID 102215252
[(2R)-1-phosphonopropan-2-yl]phosphonic acid
CID 7566477
propylphosphonamidic acid
CID 22250964
1-phosphonopropan-2-ylphosphonic acid
CID 22023450
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropylphosphonamidic acid?
The IUPAC name of 2-fluoropropylphosphonamidic acid (CID 87653292) is 2-fluoropropylphosphonamidic acid.
What is the SMILES notation for 2-fluoropropylphosphonamidic acid?
The canonical SMILES for 2-fluoropropylphosphonamidic acid is CC(F)CP(N)(=O)O.
What is the InChIKey of 2-fluoropropylphosphonamidic acid?
The InChIKey is NSACVXKDJSLKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9FNO2P/c1-3(4)2-8(5,6)7/h3H,2H2,1H3,(H3,5,6,7).
What are the key properties of 2-fluoropropylphosphonamidic acid?
2-fluoropropylphosphonamidic acid has a molecular weight of 141.08 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropylphosphonamidic acid is sourced from PubChem (CID 87653292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).