1-[fluoro(methyl)phosphoryl]oxybutane

C5H12FO2P — CID 520724

IUPAC1-[fluoro(methyl)phosphoryl]oxybutane
SMILESCCCCOP(C)(=O)F
InChIInChI=1S/C5H12FO2P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3
InChIKeyDPBYNDKWLKHTAK-UHFFFAOYSA-N
MW154.12 g/mol
LogP2.60
Rot. Bonds4

About 1-[fluoro(methyl)phosphoryl]oxybutane

1-[fluoro(methyl)phosphoryl]oxybutane (PubChem CID 520724) has the molecular formula C5H12FO2P and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-[fluoro(methyl)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[fluoro(methyl)phosphoryl]oxybutane
PubChem CID520724
Molecular FormulaC5H12FO2P
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name1-[fluoro(methyl)phosphoryl]oxybutane
SMILESCCCCOP(C)(=O)F
InChIInChI=1S/C5H12FO2P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3
InChIKeyDPBYNDKWLKHTAK-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 52.60
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(methyl)phosphoryl]oxybutane?
The IUPAC name of 1-[fluoro(methyl)phosphoryl]oxybutane (CID 520724) is 1-[fluoro(methyl)phosphoryl]oxybutane.
What is the SMILES notation for 1-[fluoro(methyl)phosphoryl]oxybutane?
The canonical SMILES for 1-[fluoro(methyl)phosphoryl]oxybutane is CCCCOP(C)(=O)F.
What is the InChIKey of 1-[fluoro(methyl)phosphoryl]oxybutane?
The InChIKey is DPBYNDKWLKHTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO2P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3.
What are the key properties of 1-[fluoro(methyl)phosphoryl]oxybutane?
1-[fluoro(methyl)phosphoryl]oxybutane has a molecular weight of 154.12 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(methyl)phosphoryl]oxybutane is sourced from PubChem (CID 520724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).