1-[ethoxy(fluoro)phosphoryl]octane

C10H22FO2P — CID 21080074

IUPAC1-[ethoxy(fluoro)phosphoryl]octane
SMILESCCCCCCCCP(=O)(F)OCC
InChIInChI=1S/C10H22FO2P/c1-3-5-6-7-8-9-10-14(11,12)13-4-2/h3-10H2,1-2H3
InChIKeyQXGGCRMRWONSSB-UHFFFAOYSA-N
MW224.26 g/mol
LogP4.55
Rot. Bonds9

About 1-[ethoxy(fluoro)phosphoryl]octane

1-[ethoxy(fluoro)phosphoryl]octane (PubChem CID 21080074) has the molecular formula C10H22FO2P and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[ethoxy(fluoro)phosphoryl]octane.

Molecular Properties

Compound Name1-[ethoxy(fluoro)phosphoryl]octane
PubChem CID21080074
Molecular FormulaC10H22FO2P
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-[ethoxy(fluoro)phosphoryl]octane
SMILESCCCCCCCCP(=O)(F)OCC
InChIInChI=1S/C10H22FO2P/c1-3-5-6-7-8-9-10-14(11,12)13-4-2/h3-10H2,1-2H3
InChIKeyQXGGCRMRWONSSB-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 54.55
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-[ethoxy(fluoro)phosphoryl]octane?
The IUPAC name of 1-[ethoxy(fluoro)phosphoryl]octane (CID 21080074) is 1-[ethoxy(fluoro)phosphoryl]octane.
What is the SMILES notation for 1-[ethoxy(fluoro)phosphoryl]octane?
The canonical SMILES for 1-[ethoxy(fluoro)phosphoryl]octane is CCCCCCCCP(=O)(F)OCC.
What is the InChIKey of 1-[ethoxy(fluoro)phosphoryl]octane?
The InChIKey is QXGGCRMRWONSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FO2P/c1-3-5-6-7-8-9-10-14(11,12)13-4-2/h3-10H2,1-2H3.
What are the key properties of 1-[ethoxy(fluoro)phosphoryl]octane?
1-[ethoxy(fluoro)phosphoryl]octane has a molecular weight of 224.26 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(fluoro)phosphoryl]octane is sourced from PubChem (CID 21080074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).