5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene

C8H6F3S- — CID 166441103

IUPAC5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
SMILESFC(F)(F)S[CH-]C=C1C=CC=C1
InChIInChI=1S/C8H6F3S/c9-8(10,11)12-6-5-7-3-1-2-4-7/h1-6H/q-1
InChIKeyFQPZZEIQFASTIW-UHFFFAOYSA-N
MW191.20 g/mol
LogP3.45
Rot. Bonds2

About 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene

5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene (PubChem CID 166441103) has the molecular formula C8H6F3S- and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
PubChem CID166441103
Molecular FormulaC8H6F3S-
Molecular Weight191.20 g/mol
Exact Mass191.01
IUPAC Name5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
SMILESFC(F)(F)S[CH-]C=C1C=CC=C1
InChIInChI=1S/C8H6F3S/c9-8(10,11)12-6-5-7-3-1-2-4-7/h1-6H/q-1
InChIKeyFQPZZEIQFASTIW-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Trifluoromethyl-2h-thiopyran
CID 129860350
2,2-Bis(trifluoromethyl) thiopyran
CID 129860431
5-(Trifluoromethylsulfanyl)cyclopenta-1,3-diene
CID 101472109
6-(2-Methylbut-1-enylsulfanyl)-5-methylidene-3-(trifluoromethyl)hepta-1,3,6-triene
CID 123359278
2,3-Dimethylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123768284
(3E,4Z)-3-ethylidene-7,7,7-trifluoro-2-methylsulfanylhepta-1,4-diene
CID 134569800
(3Z)-2-methyl-5-(trifluoromethylsulfanyl)hexa-1,3,5-triene
CID 141981513
(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene
CID 142164344
(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene
CID 142164566
2-methyl-5-(trifluoromethyl)-2H-thiopyran
CID 142828312
(3Z)-2-methylsulfanyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 144530549
(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene
CID 144530557

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene?
The IUPAC name of 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene (CID 166441103) is 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene?
The canonical SMILES for 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene is FC(F)(F)S[CH-]C=C1C=CC=C1.
What is the InChIKey of 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene?
The InChIKey is FQPZZEIQFASTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3S/c9-8(10,11)12-6-5-7-3-1-2-4-7/h1-6H/q-1.
What are the key properties of 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene?
5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene has a molecular weight of 191.20 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene is sourced from PubChem (CID 166441103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).