[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene

C14H20FO3PS — CID 101038517

IUPAC[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
SMILESCCOP(=O)(OCC)/C(F)=C(/CC)Sc1ccccc1
InChIInChI=1S/C14H20FO3PS/c1-4-13(20-12-10-8-7-9-11-12)14(15)19(16,17-5-2)18-6-3/h7-11H,4-6H2,1-3H3/b14-13-
InChIKeySVKIAMZIYMZQLQ-YPKPFQOOSA-N
MW318.35 g/mol
LogP5.59
Rot. Bonds8

About [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene

[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene (PubChem CID 101038517) has the molecular formula C14H20FO3PS and a molecular weight of 318.35 g/mol. Its IUPAC name is [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
PubChem CID101038517
Molecular FormulaC14H20FO3PS
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
SMILESCCOP(=O)(OCC)/C(F)=C(/CC)Sc1ccccc1
InChIInChI=1S/C14H20FO3PS/c1-4-13(20-12-10-8-7-9-11-12)14(15)19(16,17-5-2)18-6-3/h7-11H,4-6H2,1-3H3/b14-13-
InChIKeySVKIAMZIYMZQLQ-YPKPFQOOSA-N
XLogP5.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene
CID 14792832
[(E)-2-chloro-1-diethoxyphosphorylprop-1-enyl]sulfanylbenzene
CID 13310544
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
CID 28292
diethyl phenylsulfanyl phosphate
CID 141165956
5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene
CID 71368870
[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene
CID 135002683
1-diethoxyphosphoryl-4-phenylsulfanylbutan-2-one
CID 10860046
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
CID 67093206
(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
CID 134873610
1-diethoxyphosphoryl-N-phenylmethanethioamide
CID 14508989

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene?
The IUPAC name of [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene (CID 101038517) is [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene.
What is the SMILES notation for [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene?
The canonical SMILES for [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene is CCOP(=O)(OCC)/C(F)=C(/CC)Sc1ccccc1.
What is the InChIKey of [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene?
The InChIKey is SVKIAMZIYMZQLQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H20FO3PS/c1-4-13(20-12-10-8-7-9-11-12)14(15)19(16,17-5-2)18-6-3/h7-11H,4-6H2,1-3H3/b14-13-.
What are the key properties of [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene?
[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene has a molecular weight of 318.35 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 101038517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).