[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid

C4H11FO5P2 — CID 58756569

IUPAC[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid
SMILESCCCP(=O)(O)C(F)P(=O)(O)O
InChIInChI=1S/C4H11FO5P2/c1-2-3-11(6,7)4(5)12(8,9)10/h4H,2-3H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyXQUAQUWTTKCQMQ-UHFFFAOYSA-N
MW220.07 g/mol
LogP1.10
Rot. Bonds4

About [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid

[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid (PubChem CID 58756569) has the molecular formula C4H11FO5P2 and a molecular weight of 220.07 g/mol. Its IUPAC name is [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid.

Molecular Properties

Compound Name[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid
PubChem CID58756569
Molecular FormulaC4H11FO5P2
Molecular Weight220.07 g/mol
Exact Mass220.01
IUPAC Name[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid
SMILESCCCP(=O)(O)C(F)P(=O)(O)O
InChIInChI=1S/C4H11FO5P2/c1-2-3-11(6,7)4(5)12(8,9)10/h4H,2-3H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyXQUAQUWTTKCQMQ-UHFFFAOYSA-N
XLogP1.10
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(propyl)phosphoryl]propanoic acid
CID 46239174
butan-2-yl(propyl)phosphinic acid
CID 87395468
methyl(propyl)phosphinic acid
CID 10992780
3-hydroxyiminobutan-2-yl(propyl)phosphinic acid
CID 169084784
magnesium;dipropylphosphinic acid;hydride
CID 175497166
propylphosphonamidic acid
CID 22250964
butylphosphonic acid;neodymium
CID 134499527
tris(dipropylphosphinic acid);propane-1,2,3-triol
CID 173171073
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
azane;pentylphosphonic acid
CID 173073704
barium(2+);ethyl(propyl)phosphinic acid;hydride
CID 174823068

Frequently Asked Questions

What is the IUPAC name of [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid?
The IUPAC name of [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid (CID 58756569) is [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid.
What is the SMILES notation for [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid?
The canonical SMILES for [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid is CCCP(=O)(O)C(F)P(=O)(O)O.
What is the InChIKey of [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid?
The InChIKey is XQUAQUWTTKCQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FO5P2/c1-2-3-11(6,7)4(5)12(8,9)10/h4H,2-3H2,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid?
[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid has a molecular weight of 220.07 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid is sourced from PubChem (CID 58756569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).