(5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene

C10H15FS — CID 155152725

IUPAC(5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene
SMILESCCSC1=C(CC)[C@@](C)(F)C=C1
InChIInChI=1S/C10H15FS/c1-4-8-9(12-5-2)6-7-10(8,3)11/h6-7H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyQQVKTJGPXGCFGW-JTQLQIEISA-N
MW186.29 g/mol
LogP3.70
Rot. Bonds3

About (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene

(5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene (PubChem CID 155152725) has the molecular formula C10H15FS and a molecular weight of 186.29 g/mol. Its IUPAC name is (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name(5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene
PubChem CID155152725
Molecular FormulaC10H15FS
Molecular Weight186.29 g/mol
Exact Mass186.09
IUPAC Name(5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene
SMILESCCSC1=C(CC)[C@@](C)(F)C=C1
InChIInChI=1S/C10H15FS/c1-4-8-9(12-5-2)6-7-10(8,3)11/h6-7H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyQQVKTJGPXGCFGW-JTQLQIEISA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene?
The IUPAC name of (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene (CID 155152725) is (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene.
What is the SMILES notation for (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene?
The canonical SMILES for (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene is CCSC1=C(CC)[C@@](C)(F)C=C1.
What is the InChIKey of (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene?
The InChIKey is QQVKTJGPXGCFGW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15FS/c1-4-8-9(12-5-2)6-7-10(8,3)11/h6-7H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene?
(5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene has a molecular weight of 186.29 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-ethyl-2-ethylsulfanyl-5-fluoro-5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 155152725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).