1-fluoro-3-phosphorosooxypropane

C3H6FO2P — CID 87650992

IUPAC1-fluoro-3-phosphorosooxypropane
SMILESO=POCCCF
InChIInChI=1S/C3H6FO2P/c4-2-1-3-6-7-5/h1-3H2
InChIKeyJJPIXRMUXCFAHK-UHFFFAOYSA-N
MW124.05 g/mol
LogP1.57
Rot. Bonds4

About 1-fluoro-3-phosphorosooxypropane

1-fluoro-3-phosphorosooxypropane (PubChem CID 87650992) has the molecular formula C3H6FO2P and a molecular weight of 124.05 g/mol. Its IUPAC name is 1-fluoro-3-phosphorosooxypropane.

Molecular Properties

Compound Name1-fluoro-3-phosphorosooxypropane
PubChem CID87650992
Molecular FormulaC3H6FO2P
Molecular Weight124.05 g/mol
Exact Mass124.01
IUPAC Name1-fluoro-3-phosphorosooxypropane
SMILESO=POCCCF
InChIInChI=1S/C3H6FO2P/c4-2-1-3-6-7-5/h1-3H2
InChIKeyJJPIXRMUXCFAHK-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.05
LogP ≤ 51.57
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-3-phosphorosooxypropane?
The IUPAC name of 1-fluoro-3-phosphorosooxypropane (CID 87650992) is 1-fluoro-3-phosphorosooxypropane.
What is the SMILES notation for 1-fluoro-3-phosphorosooxypropane?
The canonical SMILES for 1-fluoro-3-phosphorosooxypropane is O=POCCCF.
What is the InChIKey of 1-fluoro-3-phosphorosooxypropane?
The InChIKey is JJPIXRMUXCFAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FO2P/c4-2-1-3-6-7-5/h1-3H2.
What are the key properties of 1-fluoro-3-phosphorosooxypropane?
1-fluoro-3-phosphorosooxypropane has a molecular weight of 124.05 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-phosphorosooxypropane is sourced from PubChem (CID 87650992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).