1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane

C8H16FO3P — CID 91477346

IUPAC1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane
SMILESCCCOP(=O)(C=CF)OCCC
InChIInChI=1S/C8H16FO3P/c1-3-6-11-13(10,8-5-9)12-7-4-2/h5,8H,3-4,6-7H2,1-2H3
InChIKeyNBZACEFCAAQJFP-UHFFFAOYSA-N
MW210.18 g/mol
LogP3.47
Rot. Bonds7

About 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane

1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane (PubChem CID 91477346) has the molecular formula C8H16FO3P and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane
PubChem CID91477346
Molecular FormulaC8H16FO3P
Molecular Weight210.18 g/mol
Exact Mass210.08
IUPAC Name1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane
SMILESCCCOP(=O)(C=CF)OCCC
InChIInChI=1S/C8H16FO3P/c1-3-6-11-13(10,8-5-9)12-7-4-2/h5,8H,3-4,6-7H2,1-2H3
InChIKeyNBZACEFCAAQJFP-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane?
The IUPAC name of 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane (CID 91477346) is 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane is CCCOP(=O)(C=CF)OCCC.
What is the InChIKey of 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane?
The InChIKey is NBZACEFCAAQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FO3P/c1-3-6-11-13(10,8-5-9)12-7-4-2/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane?
1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane has a molecular weight of 210.18 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 91477346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).