(1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene

C7H11FOS — CID 166774750

IUPAC(1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene
SMILESC=C/C(F)=C(\OCC)SC
InChIInChI=1S/C7H11FOS/c1-4-6(8)7(10-3)9-5-2/h4H,1,5H2,2-3H3/b7-6-
InChIKeyNXPHXMBUHJJLIV-SREVYHEPSA-N
MW162.23 g/mol
LogP2.71
Rot. Bonds4

About (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene

(1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene (PubChem CID 166774750) has the molecular formula C7H11FOS and a molecular weight of 162.23 g/mol. Its IUPAC name is (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene.

Molecular Properties

Compound Name(1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene
PubChem CID166774750
Molecular FormulaC7H11FOS
Molecular Weight162.23 g/mol
Exact Mass162.05
IUPAC Name(1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene
SMILESC=C/C(F)=C(\OCC)SC
InChIInChI=1S/C7H11FOS/c1-4-6(8)7(10-3)9-5-2/h4H,1,5H2,2-3H3/b7-6-
InChIKeyNXPHXMBUHJJLIV-SREVYHEPSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene?
The IUPAC name of (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene (CID 166774750) is (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene.
What is the SMILES notation for (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene?
The canonical SMILES for (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene is C=C/C(F)=C(\OCC)SC.
What is the InChIKey of (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene?
The InChIKey is NXPHXMBUHJJLIV-SREVYHEPSA-N. The full InChI is InChI=1S/C7H11FOS/c1-4-6(8)7(10-3)9-5-2/h4H,1,5H2,2-3H3/b7-6-.
What are the key properties of (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene?
(1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene has a molecular weight of 162.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene is sourced from PubChem (CID 166774750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).