fluorooxy(4-hydroxybutyl)phosphinic acid

C4H10FO4P — CID 174280353

IUPACfluorooxy(4-hydroxybutyl)phosphinic acid
SMILESO=P(O)(CCCCO)OF
InChIInChI=1S/C4H10FO4P/c5-9-10(7,8)4-2-1-3-6/h6H,1-4H2,(H,7,8)
InChIKeyKVPCDEVSGITQBB-UHFFFAOYSA-N
MW172.09 g/mol
LogP0.85
Rot. Bonds5

About fluorooxy(4-hydroxybutyl)phosphinic acid

fluorooxy(4-hydroxybutyl)phosphinic acid (PubChem CID 174280353) has the molecular formula C4H10FO4P and a molecular weight of 172.09 g/mol. Its IUPAC name is fluorooxy(4-hydroxybutyl)phosphinic acid.

Molecular Properties

Compound Namefluorooxy(4-hydroxybutyl)phosphinic acid
PubChem CID174280353
Molecular FormulaC4H10FO4P
Molecular Weight172.09 g/mol
Exact Mass172.03
IUPAC Namefluorooxy(4-hydroxybutyl)phosphinic acid
SMILESO=P(O)(CCCCO)OF
InChIInChI=1S/C4H10FO4P/c5-9-10(7,8)4-2-1-3-6/h6H,1-4H2,(H,7,8)
InChIKeyKVPCDEVSGITQBB-UHFFFAOYSA-N
XLogP0.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 50.85
H-Bond Donors ≤ 52
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

Phosphoric acid, butyl ester
CID 3033844
[(2R)-1-hydroxypropan-2-yl]phosphonic acid
CID 153806433
[(1s)-1-Hydroxypropyl]phosphonic Acid
CID 71297190
(4-Hydroxybutyl)phosphonic acid
CID 17971710
Dimethyl 1-hydroxybutylphosphonate
CID 573521
1-Hydroxybutylphosphonic acid
CID 12534398
[(1r)-1-Hydroxypropyl]phosphonic Acid
CID 52950093
[(2S)-1-hydroxypropan-2-yl]phosphonic acid
CID 168300980
Hydroxypropylphosphonic acid
CID 11147763
1-Dimethoxyphosphorylpropan-1-ol
CID 12495975
(1-Hydroxypropyl)phosphonic acid
CID 12625401
Hydroxypropylidenediphosphonic acid
CID 13644124

Frequently Asked Questions

What is the IUPAC name of fluorooxy(4-hydroxybutyl)phosphinic acid?
The IUPAC name of fluorooxy(4-hydroxybutyl)phosphinic acid (CID 174280353) is fluorooxy(4-hydroxybutyl)phosphinic acid.
What is the SMILES notation for fluorooxy(4-hydroxybutyl)phosphinic acid?
The canonical SMILES for fluorooxy(4-hydroxybutyl)phosphinic acid is O=P(O)(CCCCO)OF.
What is the InChIKey of fluorooxy(4-hydroxybutyl)phosphinic acid?
The InChIKey is KVPCDEVSGITQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO4P/c5-9-10(7,8)4-2-1-3-6/h6H,1-4H2,(H,7,8).
What are the key properties of fluorooxy(4-hydroxybutyl)phosphinic acid?
fluorooxy(4-hydroxybutyl)phosphinic acid has a molecular weight of 172.09 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxy(4-hydroxybutyl)phosphinic acid is sourced from PubChem (CID 174280353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).