(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene

C8H16FO3P — CID 15370531

IUPAC(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene
SMILESCC/C=C(\F)P(=O)(OCC)OCC
InChIInChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyMVKMCLCKTTURPZ-BQYQJAHWSA-N
MW210.18 g/mol
LogP3.47
Rot. Bonds6

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

(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene (PubChem CID 15370531) has the molecular formula C8H16FO3P and a molecular weight of 210.18 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene
PubChem CID15370531
Molecular FormulaC8H16FO3P
Molecular Weight210.18 g/mol
Exact Mass210.08
IUPAC Name(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene
SMILESCC/C=C(\F)P(=O)(OCC)OCC
InChIInChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyMVKMCLCKTTURPZ-BQYQJAHWSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
Diethyl 3-butenylphosphonate
CID 10997850
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
CID 12843905
Dipropan-2-yl (1-fluorobut-3-en-1-yl)phosphonate
CID 13133774
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
2-Diethoxyphosphorylbut-1-ene
CID 11844799
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541
1-Diethoxyphosphorylbut-1-ene
CID 23280731

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene (CID 15370531) is (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene is CC/C=C(\F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene?
The InChIKey is MVKMCLCKTTURPZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h7H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene?
(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene has a molecular weight of 210.18 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene is sourced from PubChem (CID 15370531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).