5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane

C9H17FS — CID 123645797

IUPAC5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane
SMILESCC(F)C=CC=CS(C)(C)C
InChIInChI=1S/C9H17FS/c1-9(10)7-5-6-8-11(2,3)4/h5-9H,1-4H3
InChIKeySUVNSOYJCSZRNW-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.11
Rot. Bonds3

About 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane

5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane (PubChem CID 123645797) has the molecular formula C9H17FS and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane.

Molecular Properties

Compound Name5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane
PubChem CID123645797
Molecular FormulaC9H17FS
Molecular Weight176.30 g/mol
Exact Mass176.10
IUPAC Name5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane
SMILESCC(F)C=CC=CS(C)(C)C
InChIInChI=1S/C9H17FS/c1-9(10)7-5-6-8-11(2,3)4/h5-9H,1-4H3
InChIKeySUVNSOYJCSZRNW-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-fluoro-1-[(Z)-hex-4-en-3-ylidene]-1-methylthiopyran
CID 91181752
6-Fluoro-2,3-dihydrothionine
CID 91360454
(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene
CID 138465199
2-Fluoro-5-methylsulfanylcyclohepta-1,3,5-triene
CID 142105265
1-Fluoro-5-methylsulfanylcyclohepta-1,3,5-triene
CID 143284627
(3Z)-2-(fluoromethylsulfanyl)-5-methylhexa-1,3,5-triene
CID 145628249
(3Z)-2-ethylsulfanyl-5-fluorohexa-1,3-diene
CID 155152751
(3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene
CID 155180434
6-fluoro-2-methyl-2H-thiopyran
CID 155395526
(3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene
CID 174343425
1-Ethylthio-1,3-hexadiene
CID 85939659
Octadienyl sulfide
CID 129812220

Frequently Asked Questions

What is the IUPAC name of 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane?
The IUPAC name of 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane (CID 123645797) is 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane.
What is the SMILES notation for 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane?
The canonical SMILES for 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane is CC(F)C=CC=CS(C)(C)C.
What is the InChIKey of 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane?
The InChIKey is SUVNSOYJCSZRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FS/c1-9(10)7-5-6-8-11(2,3)4/h5-9H,1-4H3.
What are the key properties of 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane?
5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane has a molecular weight of 176.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorohexa-1,3-dienyl(trimethyl)-λ4-sulfane is sourced from PubChem (CID 123645797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).