(3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene

C7H11FS — CID 142053850

IUPAC(3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene
SMILESC=C(/C=C(\C)F)SCC
InChIInChI=1S/C7H11FS/c1-4-9-7(3)5-6(2)8/h5H,3-4H2,1-2H3/b6-5+
InChIKeyWORLWOSWEZBDDR-AATRIKPKSA-N
MW146.23 g/mol
LogP3.13
Rot. Bonds3

About (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene

(3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene (PubChem CID 142053850) has the molecular formula C7H11FS and a molecular weight of 146.23 g/mol. Its IUPAC name is (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene.

Molecular Properties

Compound Name(3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene
PubChem CID142053850
Molecular FormulaC7H11FS
Molecular Weight146.23 g/mol
Exact Mass146.06
IUPAC Name(3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene
SMILESC=C(/C=C(\C)F)SCC
InChIInChI=1S/C7H11FS/c1-4-9-7(3)5-6(2)8/h5H,3-4H2,1-2H3/b6-5+
InChIKeyWORLWOSWEZBDDR-AATRIKPKSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylsulfanyl-2-fluoroprop-1-ene
CID 59154923
(3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene
CID 135231187
(Z)-2-ethylsulfanyl-1-fluoroprop-1-ene
CID 138614537
(3E)-2-ethenylsulfanyl-4-fluoropenta-1,3-diene
CID 141960659
(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene
CID 142097950
(3Z)-2-fluoro-5-methylsulfanylhexa-1,3,5-triene
CID 143206163
(3E,5Z)-2-fluoro-3-methylsulfanylhepta-1,3,5-triene
CID 143284367
(3E)-4-fluoro-2-methylsulfanylhexa-1,3,5-triene
CID 145127512
(Z)-1-(2-fluoropropylsulfanyl)but-2-ene
CID 163536974
(3Z)-2-(1-fluoroethylsulfanyl)hexa-1,3,5-triene
CID 169957674
(3E)-2-fluoro-3-methylsulfanylhexa-1,3,5-triene
CID 171501781
(3E)-2-fluoro-4-methylsulfanylhexa-1,3,5-triene
CID 171502135

Frequently Asked Questions

What is the IUPAC name of (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene?
The IUPAC name of (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene (CID 142053850) is (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene.
What is the SMILES notation for (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene?
The canonical SMILES for (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene is C=C(/C=C(\C)F)SCC.
What is the InChIKey of (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene?
The InChIKey is WORLWOSWEZBDDR-AATRIKPKSA-N. The full InChI is InChI=1S/C7H11FS/c1-4-9-7(3)5-6(2)8/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene?
(3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene is sourced from PubChem (CID 142053850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).