fluoro 4-hydroxybutyl hydrogen phosphate

C4H10FO5P — CID 178182476

IUPACfluoro 4-hydroxybutyl hydrogen phosphate
SMILESO=P(O)(OF)OCCCCO
InChIInChI=1S/C4H10FO5P/c5-10-11(7,8)9-4-2-1-3-6/h6H,1-4H2,(H,7,8)
InChIKeyCFEBGISXZOUIAA-UHFFFAOYSA-N
MW188.09 g/mol
LogP0.78
Rot. Bonds6

About fluoro 4-hydroxybutyl hydrogen phosphate

fluoro 4-hydroxybutyl hydrogen phosphate (PubChem CID 178182476) has the molecular formula C4H10FO5P and a molecular weight of 188.09 g/mol. Its IUPAC name is fluoro 4-hydroxybutyl hydrogen phosphate.

Molecular Properties

Compound Namefluoro 4-hydroxybutyl hydrogen phosphate
PubChem CID178182476
Molecular FormulaC4H10FO5P
Molecular Weight188.09 g/mol
Exact Mass188.02
IUPAC Namefluoro 4-hydroxybutyl hydrogen phosphate
SMILESO=P(O)(OF)OCCCCO
InChIInChI=1S/C4H10FO5P/c5-10-11(7,8)9-4-2-1-3-6/h6H,1-4H2,(H,7,8)
InChIKeyCFEBGISXZOUIAA-UHFFFAOYSA-N
XLogP0.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
4-Hydroxybutyl Trihydrogen Diphosphate
CID 60150351
Dibutyl 4-hydroxybutyl phosphate
CID 14671140
Tris-(4-hydroxybutyl) phosphate
CID 53915781
Diethyl 4-hydroxybutyl phosphate
CID 87381120
4-Hydroxybutyl dihydrogen phosphate
CID 82534
Dipotassium 4-hydroxybutyl phosphate
CID 11971155
Fluorooxy(4-hydroxybutyl)phosphinic acid
CID 174280353
Fluoro 3-hydroxypropyl hydrogen phosphate
CID 174652733
4-Difluorophosphoryloxybutan-1-ol
CID 178182563
Bis(3-hydroxypropyl) hydrogen phosphate
CID 18465607
4-Hydroxybutyl dihydrogen phosphite
CID 21493257

Frequently Asked Questions

What is the IUPAC name of fluoro 4-hydroxybutyl hydrogen phosphate?
The IUPAC name of fluoro 4-hydroxybutyl hydrogen phosphate (CID 178182476) is fluoro 4-hydroxybutyl hydrogen phosphate.
What is the SMILES notation for fluoro 4-hydroxybutyl hydrogen phosphate?
The canonical SMILES for fluoro 4-hydroxybutyl hydrogen phosphate is O=P(O)(OF)OCCCCO.
What is the InChIKey of fluoro 4-hydroxybutyl hydrogen phosphate?
The InChIKey is CFEBGISXZOUIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO5P/c5-10-11(7,8)9-4-2-1-3-6/h6H,1-4H2,(H,7,8).
What are the key properties of fluoro 4-hydroxybutyl hydrogen phosphate?
fluoro 4-hydroxybutyl hydrogen phosphate has a molecular weight of 188.09 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-hydroxybutyl hydrogen phosphate is sourced from PubChem (CID 178182476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).