4-fluorobut-3-enoxy-hydroxy-oxophosphanium

C4H7FO3P+ — CID 174280949

IUPAC4-fluorobut-3-enoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCCC=CF
InChIInChI=1S/C4H6FO3P/c5-3-1-2-4-8-9(6)7/h1,3H,2,4H2/p+1
InChIKeyODMTUZQNGNBTSV-UHFFFAOYSA-O
MW153.07 g/mol
LogP1.53
Rot. Bonds4

About 4-fluorobut-3-enoxy-hydroxy-oxophosphanium

4-fluorobut-3-enoxy-hydroxy-oxophosphanium (PubChem CID 174280949) has the molecular formula C4H7FO3P+ and a molecular weight of 153.07 g/mol. Its IUPAC name is 4-fluorobut-3-enoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name4-fluorobut-3-enoxy-hydroxy-oxophosphanium
PubChem CID174280949
Molecular FormulaC4H7FO3P+
Molecular Weight153.07 g/mol
Exact Mass153.01
IUPAC Name4-fluorobut-3-enoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCCC=CF
InChIInChI=1S/C4H6FO3P/c5-3-1-2-4-8-9(6)7/h1,3H,2,4H2/p+1
InChIKeyODMTUZQNGNBTSV-UHFFFAOYSA-O
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.07
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium
CID 175557822
hydroxy-oxo-(4-oxobutoxy)phosphanium
CID 172768343
2-aminoethoxy-hydroxy-oxophosphanium
CID 18512670
CID 131882023
CID 131882023
3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
4-bromobutoxy-hydroxy-oxophosphanium
CID 13262446
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 19977615
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301

Frequently Asked Questions

What is the IUPAC name of 4-fluorobut-3-enoxy-hydroxy-oxophosphanium?
The IUPAC name of 4-fluorobut-3-enoxy-hydroxy-oxophosphanium (CID 174280949) is 4-fluorobut-3-enoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 4-fluorobut-3-enoxy-hydroxy-oxophosphanium?
The canonical SMILES for 4-fluorobut-3-enoxy-hydroxy-oxophosphanium is O=[P+](O)OCCC=CF.
What is the InChIKey of 4-fluorobut-3-enoxy-hydroxy-oxophosphanium?
The InChIKey is ODMTUZQNGNBTSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6FO3P/c5-3-1-2-4-8-9(6)7/h1,3H,2,4H2/p+1.
What are the key properties of 4-fluorobut-3-enoxy-hydroxy-oxophosphanium?
4-fluorobut-3-enoxy-hydroxy-oxophosphanium has a molecular weight of 153.07 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-3-enoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 174280949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).