1-[fluoro(hexoxy)phosphoryl]oxyhexane

C12H26FO3P — CID 23443858

IUPAC1-[fluoro(hexoxy)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(F)OCCCCCC
InChIInChI=1S/C12H26FO3P/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeyYKCQMDXVSXGSMI-UHFFFAOYSA-N
MW268.31 g/mol
LogP5.26
Rot. Bonds12

About 1-[fluoro(hexoxy)phosphoryl]oxyhexane

1-[fluoro(hexoxy)phosphoryl]oxyhexane (PubChem CID 23443858) has the molecular formula C12H26FO3P and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[fluoro(hexoxy)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[fluoro(hexoxy)phosphoryl]oxyhexane
PubChem CID23443858
Molecular FormulaC12H26FO3P
Molecular Weight268.31 g/mol
Exact Mass268.16
IUPAC Name1-[fluoro(hexoxy)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(F)OCCCCCC
InChIInChI=1S/C12H26FO3P/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeyYKCQMDXVSXGSMI-UHFFFAOYSA-N
XLogP5.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.31
LogP ≤ 55.26
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(hexoxy)phosphoryl]oxyhexane?
The IUPAC name of 1-[fluoro(hexoxy)phosphoryl]oxyhexane (CID 23443858) is 1-[fluoro(hexoxy)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[fluoro(hexoxy)phosphoryl]oxyhexane?
The canonical SMILES for 1-[fluoro(hexoxy)phosphoryl]oxyhexane is CCCCCCOP(=O)(F)OCCCCCC.
What is the InChIKey of 1-[fluoro(hexoxy)phosphoryl]oxyhexane?
The InChIKey is YKCQMDXVSXGSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FO3P/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1-[fluoro(hexoxy)phosphoryl]oxyhexane?
1-[fluoro(hexoxy)phosphoryl]oxyhexane has a molecular weight of 268.31 g/mol, XLogP of 5.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(hexoxy)phosphoryl]oxyhexane is sourced from PubChem (CID 23443858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).