2-fluoro-4-methylidene-2-methylsulfanylhexane

C8H15FS — CID 167309503

IUPAC2-fluoro-4-methylidene-2-methylsulfanylhexane
SMILESC=C(CC)CC(C)(F)SC
InChIInChI=1S/C8H15FS/c1-5-7(2)6-8(3,9)10-4/h2,5-6H2,1,3-4H3
InChIKeyUENGUOPHKLSWNI-UHFFFAOYSA-N
MW162.27 g/mol
LogP3.39
Rot. Bonds4

About 2-fluoro-4-methylidene-2-methylsulfanylhexane

2-fluoro-4-methylidene-2-methylsulfanylhexane (PubChem CID 167309503) has the molecular formula C8H15FS and a molecular weight of 162.27 g/mol. Its IUPAC name is 2-fluoro-4-methylidene-2-methylsulfanylhexane.

Molecular Properties

Compound Name2-fluoro-4-methylidene-2-methylsulfanylhexane
PubChem CID167309503
Molecular FormulaC8H15FS
Molecular Weight162.27 g/mol
Exact Mass162.09
IUPAC Name2-fluoro-4-methylidene-2-methylsulfanylhexane
SMILESC=C(CC)CC(C)(F)SC
InChIInChI=1S/C8H15FS/c1-5-7(2)6-8(3,9)10-4/h2,5-6H2,1,3-4H3
InChIKeyUENGUOPHKLSWNI-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylidene-2-methylsulfanylhexane?
The IUPAC name of 2-fluoro-4-methylidene-2-methylsulfanylhexane (CID 167309503) is 2-fluoro-4-methylidene-2-methylsulfanylhexane.
What is the SMILES notation for 2-fluoro-4-methylidene-2-methylsulfanylhexane?
The canonical SMILES for 2-fluoro-4-methylidene-2-methylsulfanylhexane is C=C(CC)CC(C)(F)SC.
What is the InChIKey of 2-fluoro-4-methylidene-2-methylsulfanylhexane?
The InChIKey is UENGUOPHKLSWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FS/c1-5-7(2)6-8(3,9)10-4/h2,5-6H2,1,3-4H3.
What are the key properties of 2-fluoro-4-methylidene-2-methylsulfanylhexane?
2-fluoro-4-methylidene-2-methylsulfanylhexane has a molecular weight of 162.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylidene-2-methylsulfanylhexane is sourced from PubChem (CID 167309503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).