(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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Related Compounds

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(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene
CID 163415117
4-ethenyl-3-[(2R,3S)-3-fluorobutan-2-yl]-2-methyl-2H-thiete
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(5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene
CID 91927670
(2Z,4E,6E)-3-ethyl-5-(2-fluoropropan-2-yl)-6-methyl-8-methylsulfanylnona-2,4,6-triene
CID 170732264
4-Ethenyl-2,5-dimethyl-2,3-dihydrothiophene
CID 68199908
5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene
CID 134425031
5-ethenyl-3-methyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene
CID 134425099
4,5-Bis(ethenyl)-3-methyl-2,3-dihydrothiophene
CID 142091964
(5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentene;uranium
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1-(2-Ethylsulfanylethyl)cyclopenta-1,3-diene
CID 85982411

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).