(E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene

C7H14FO3P — CID 6277641

IUPAC(E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene
SMILESC/C=C(\F)P(=O)(OCC)OCC
InChIInChI=1S/C7H14FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4H,5-6H2,1-3H3/b7-4+
InChIKeySTGVFUAXZNHPQW-QPJJXVBHSA-N
MW196.16 g/mol
LogP3.08
Rot. Bonds5

About (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene

(E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene (PubChem CID 6277641) has the molecular formula C7H14FO3P and a molecular weight of 196.16 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene
PubChem CID6277641
Molecular FormulaC7H14FO3P
Molecular Weight196.16 g/mol
Exact Mass196.07
IUPAC Name(E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene
SMILESC/C=C(\F)P(=O)(OCC)OCC
InChIInChI=1S/C7H14FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4H,5-6H2,1-3H3/b7-4+
InChIKeySTGVFUAXZNHPQW-QPJJXVBHSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diethyl isopropenylphosphonate
CID 88390
Diethyl propadienylphosphonate
CID 12716821
(E)-1-diethoxyphosphoryl-3-fluoroprop-1-ene
CID 12713685
3-Diethoxyphosphoryl-3-fluoroprop-1-ene
CID 15449243
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
3-Diethoxyphosphoryl-2-fluoroprop-1-ene
CID 134845576
1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane
CID 134932461
(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080814
(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080968
1-Diethoxyphosphoryl-1-fluoropropa-1,2-diene
CID 10797877
2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-ene
CID 101511757
Diethyl (1,1,2-trifluoro-2-propenyl)phosphonate
CID 53986716

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene (CID 6277641) is (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene is C/C=C(\F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene?
The InChIKey is STGVFUAXZNHPQW-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4H,5-6H2,1-3H3/b7-4+.
What are the key properties of (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene?
(E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene has a molecular weight of 196.16 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-fluoroprop-1-ene is sourced from PubChem (CID 6277641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).