(E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene

C7H11F2O3P — CID 87155403

IUPAC(E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene
SMILESCP(=O)(OC/C=C/F)OC/C=C/F
InChIInChI=1S/C7H11F2O3P/c1-13(10,11-6-2-4-8)12-7-3-5-9/h2-5H,6-7H2,1H3/b4-2+,5-3+
InChIKeyFTLZXINNDAUJNR-ZUVMSYQZSA-N
MW212.13 g/mol
LogP2.81
Rot. Bonds6

About (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene

(E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene (PubChem CID 87155403) has the molecular formula C7H11F2O3P and a molecular weight of 212.13 g/mol. Its IUPAC name is (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name(E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene
PubChem CID87155403
Molecular FormulaC7H11F2O3P
Molecular Weight212.13 g/mol
Exact Mass212.04
IUPAC Name(E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene
SMILESCP(=O)(OC/C=C/F)OC/C=C/F
InChIInChI=1S/C7H11F2O3P/c1-13(10,11-6-2-4-8)12-7-3-5-9/h2-5H,6-7H2,1H3/b4-2+,5-3+
InChIKeyFTLZXINNDAUJNR-ZUVMSYQZSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.13
LogP ≤ 52.81
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 (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene?
The IUPAC name of (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene (CID 87155403) is (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene.
What is the SMILES notation for (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene?
The canonical SMILES for (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene is CP(=O)(OC/C=C/F)OC/C=C/F.
What is the InChIKey of (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene?
The InChIKey is FTLZXINNDAUJNR-ZUVMSYQZSA-N. The full InChI is InChI=1S/C7H11F2O3P/c1-13(10,11-6-2-4-8)12-7-3-5-9/h2-5H,6-7H2,1H3/b4-2+,5-3+.
What are the key properties of (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene?
(E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene has a molecular weight of 212.13 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene is sourced from PubChem (CID 87155403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).