2-[fluoro(methyl)phosphoryl]oxybutane

C5H12FO2P — CID 520723

IUPAC2-[fluoro(methyl)phosphoryl]oxybutane
SMILESCCC(C)OP(C)(=O)F
InChIInChI=1S/C5H12FO2P/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3
InChIKeyINIUKZAEJHEEFF-UHFFFAOYSA-N
MW154.12 g/mol
LogP2.59
Rot. Bonds3

About 2-[fluoro(methyl)phosphoryl]oxybutane

2-[fluoro(methyl)phosphoryl]oxybutane (PubChem CID 520723) has the molecular formula C5H12FO2P and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-[fluoro(methyl)phosphoryl]oxybutane.

Molecular Properties

Compound Name2-[fluoro(methyl)phosphoryl]oxybutane
PubChem CID520723
Molecular FormulaC5H12FO2P
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name2-[fluoro(methyl)phosphoryl]oxybutane
SMILESCCC(C)OP(C)(=O)F
InChIInChI=1S/C5H12FO2P/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3
InChIKeyINIUKZAEJHEEFF-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(methyl)phosphoryl]oxybutane?
The IUPAC name of 2-[fluoro(methyl)phosphoryl]oxybutane (CID 520723) is 2-[fluoro(methyl)phosphoryl]oxybutane.
What is the SMILES notation for 2-[fluoro(methyl)phosphoryl]oxybutane?
The canonical SMILES for 2-[fluoro(methyl)phosphoryl]oxybutane is CCC(C)OP(C)(=O)F.
What is the InChIKey of 2-[fluoro(methyl)phosphoryl]oxybutane?
The InChIKey is INIUKZAEJHEEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO2P/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3.
What are the key properties of 2-[fluoro(methyl)phosphoryl]oxybutane?
2-[fluoro(methyl)phosphoryl]oxybutane has a molecular weight of 154.12 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(methyl)phosphoryl]oxybutane is sourced from PubChem (CID 520723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).