6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene

C12H23FS — CID 155274520

IUPAC6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene
SMILESC=C(SC)C(C)CCC(C)(F)CCC
InChIInChI=1S/C12H23FS/c1-6-8-12(4,13)9-7-10(2)11(3)14-5/h10H,3,6-9H2,1-2,4-5H3
InChIKeyJDKNWRLVKAYDKU-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.81
Rot. Bonds7

About 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene

6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene (PubChem CID 155274520) has the molecular formula C12H23FS and a molecular weight of 218.38 g/mol. Its IUPAC name is 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene.

Molecular Properties

Compound Name6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene
PubChem CID155274520
Molecular FormulaC12H23FS
Molecular Weight218.38 g/mol
Exact Mass218.15
IUPAC Name6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene
SMILESC=C(SC)C(C)CCC(C)(F)CCC
InChIInChI=1S/C12H23FS/c1-6-8-12(4,13)9-7-10(2)11(3)14-5/h10H,3,6-9H2,1-2,4-5H3
InChIKeyJDKNWRLVKAYDKU-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene?
The IUPAC name of 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene (CID 155274520) is 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene.
What is the SMILES notation for 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene?
The canonical SMILES for 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene is C=C(SC)C(C)CCC(C)(F)CCC.
What is the InChIKey of 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene?
The InChIKey is JDKNWRLVKAYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FS/c1-6-8-12(4,13)9-7-10(2)11(3)14-5/h10H,3,6-9H2,1-2,4-5H3.
What are the key properties of 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene?
6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene has a molecular weight of 218.38 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene is sourced from PubChem (CID 155274520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).