fluorophosphonic acid;pyrrolidine-2-carboxylic acid

C5H11FNO5P — CID 157183973

IUPACfluorophosphonic acid;pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1.O=P(O)(O)F
InChIInChI=1S/C5H9NO2.FH2O3P/c7-5(8)4-2-1-3-6-4;1-5(2,3)4/h4,6H,1-3H2,(H,7,8);(H2,2,3,4)
InChIKeyAOWWREVOAOJQNS-UHFFFAOYSA-N
MW215.12 g/mol
LogP-0.13
Rot. Bonds1

About fluorophosphonic acid;pyrrolidine-2-carboxylic acid

fluorophosphonic acid;pyrrolidine-2-carboxylic acid (PubChem CID 157183973) has the molecular formula C5H11FNO5P and a molecular weight of 215.12 g/mol. Its IUPAC name is fluorophosphonic acid;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namefluorophosphonic acid;pyrrolidine-2-carboxylic acid
PubChem CID157183973
Molecular FormulaC5H11FNO5P
Molecular Weight215.12 g/mol
Exact Mass215.04
IUPAC Namefluorophosphonic acid;pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1.O=P(O)(O)F
InChIInChI=1S/C5H9NO2.FH2O3P/c7-5(8)4-2-1-3-6-4;1-5(2,3)4/h4,6H,1-3H2,(H,7,8);(H2,2,3,4)
InChIKeyAOWWREVOAOJQNS-UHFFFAOYSA-N
XLogP-0.13
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640

Frequently Asked Questions

What is the IUPAC name of fluorophosphonic acid;pyrrolidine-2-carboxylic acid?
The IUPAC name of fluorophosphonic acid;pyrrolidine-2-carboxylic acid (CID 157183973) is fluorophosphonic acid;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for fluorophosphonic acid;pyrrolidine-2-carboxylic acid?
The canonical SMILES for fluorophosphonic acid;pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1.O=P(O)(O)F.
What is the InChIKey of fluorophosphonic acid;pyrrolidine-2-carboxylic acid?
The InChIKey is AOWWREVOAOJQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.FH2O3P/c7-5(8)4-2-1-3-6-4;1-5(2,3)4/h4,6H,1-3H2,(H,7,8);(H2,2,3,4).
What are the key properties of fluorophosphonic acid;pyrrolidine-2-carboxylic acid?
fluorophosphonic acid;pyrrolidine-2-carboxylic acid has a molecular weight of 215.12 g/mol, XLogP of -0.13, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorophosphonic acid;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 157183973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).