(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene

C8H14FO3P — CID 135080814

IUPAC(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
SMILESCCOP(=O)(/C(=C\C=C)/F)OCC
InChIInChI=1S/C8H14FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7H,1,5-6H2,2-3H3/b8-7-
InChIKeyQJPYZNMQFIGGGL-FPLPWBNLSA-N
MW208.17 g/mol
LogP1.60
Rot. Bonds6

About (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene

(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene (PubChem CID 135080814) has the molecular formula C8H14FO3P and a molecular weight of 208.17 g/mol. Its IUPAC name is (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene.

Molecular Properties

Compound Name(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
PubChem CID135080814
Molecular FormulaC8H14FO3P
Molecular Weight208.17 g/mol
Exact Mass208.07
IUPAC Name(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
SMILESCCOP(=O)(/C(=C\C=C)/F)OCC
InChIInChI=1S/C8H14FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7H,1,5-6H2,2-3H3/b8-7-
InChIKeyQJPYZNMQFIGGGL-FPLPWBNLSA-N
XLogP1.60
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity228

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosphinic acid, diallyl-, ethyl ester
CID 120374
Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene
CID 11042014
Diethyl buta-1,3-dien-2-ylphosphonate
CID 12482372
(E)-1-diethoxyphosphoryl-3-fluoroprop-1-ene
CID 12713685
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
3-Diethoxyphosphoryl-3-fluoroprop-1-ene
CID 15449243
(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080968
(1E)-1-diethoxyphosphoryl-buta-1,3-diene
CID 11446819
1-Diethoxyphosphorylbuta-1,3-diene
CID 53722915
(E)-1-diethoxyphosphoryl-1-fluoro-prop-1-ene
CID 6277641
4-Diethoxyphosphoryl-4-fluorobut-1-ene
CID 10774791

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene?
The IUPAC name of (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene (CID 135080814) is (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene.
What is the SMILES notation for (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene?
The canonical SMILES for (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene is CCOP(=O)(/C(=C\C=C)/F)OCC.
What is the InChIKey of (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene?
The InChIKey is QJPYZNMQFIGGGL-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H14FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,7H,1,5-6H2,2-3H3/b8-7-.
What are the key properties of (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene?
(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene has a molecular weight of 208.17 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene is sourced from PubChem (CID 135080814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).