1-[ethyl(fluoro)phosphoryl]oxypropane

C5H12FO2P — CID 520458

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

About 1-[ethyl(fluoro)phosphoryl]oxypropane

1-[ethyl(fluoro)phosphoryl]oxypropane (PubChem CID 520458) has the molecular formula C5H12FO2P and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxypropane
PubChem CID520458
Molecular FormulaC5H12FO2P
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)CC
InChIInChI=1S/C5H12FO2P/c1-3-5-8-9(6,7)4-2/h3-5H2,1-2H3
InChIKeyCSEVFVGZNSDOFZ-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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxypropane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxypropane (CID 520458) is 1-[ethyl(fluoro)phosphoryl]oxypropane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxypropane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxypropane is CCCOP(=O)(F)CC.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxypropane?
The InChIKey is CSEVFVGZNSDOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO2P/c1-3-5-8-9(6,7)4-2/h3-5H2,1-2H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxypropane?
1-[ethyl(fluoro)phosphoryl]oxypropane 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-[ethyl(fluoro)phosphoryl]oxypropane is sourced from PubChem (CID 520458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).