(3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene

C8H11FS — CID 174343425

IUPAC(3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene
SMILESC=C(F)SC(=C)/C=C\CC
InChIInChI=1S/C8H11FS/c1-4-5-6-7(2)10-8(3)9/h5-6H,2-4H2,1H3/b6-5-
InChIKeyJVWUJSXNXXLNML-WAYWQWQTSA-N
MW158.24 g/mol
LogP3.64
Rot. Bonds4

About (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene

(3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene (PubChem CID 174343425) has the molecular formula C8H11FS and a molecular weight of 158.24 g/mol. Its IUPAC name is (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene
PubChem CID174343425
Molecular FormulaC8H11FS
Molecular Weight158.24 g/mol
Exact Mass158.06
IUPAC Name(3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene
SMILESC=C(F)SC(=C)/C=C\CC
InChIInChI=1S/C8H11FS/c1-4-5-6-7(2)10-8(3)9/h5-6H,2-4H2,1H3/b6-5-
InChIKeyJVWUJSXNXXLNML-WAYWQWQTSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene?
The IUPAC name of (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene (CID 174343425) is (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene.
What is the SMILES notation for (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene?
The canonical SMILES for (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene is C=C(F)SC(=C)/C=C\CC.
What is the InChIKey of (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene?
The InChIKey is JVWUJSXNXXLNML-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H11FS/c1-4-5-6-7(2)10-8(3)9/h5-6H,2-4H2,1H3/b6-5-.
What are the key properties of (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene?
(3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene has a molecular weight of 158.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene is sourced from PubChem (CID 174343425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).