2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene

C9H9F3S — CID 123823833

IUPAC2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
SMILESC=c1cc(CC(F)(F)F)sc1=CC
InChIInChI=1S/C9H9F3S/c1-3-8-6(2)4-7(13-8)5-9(10,11)12/h3-4H,2,5H2,1H3
InChIKeyWIJKKEBAOWIRPY-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.06
Rot. Bonds1

About 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene

2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene (PubChem CID 123823833) has the molecular formula C9H9F3S and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene.

Molecular Properties

Compound Name2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
PubChem CID123823833
Molecular FormulaC9H9F3S
Molecular Weight206.23 g/mol
Exact Mass206.04
IUPAC Name2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
SMILESC=c1cc(CC(F)(F)F)sc1=CC
InChIInChI=1S/C9H9F3S/c1-3-8-6(2)4-7(13-8)5-9(10,11)12/h3-4H,2,5H2,1H3
InChIKeyWIJKKEBAOWIRPY-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
1,1,1-Trifluoro-4-(2-methylbut-3-en-2-ylsulfanyl)octa-3,5-diene
CID 91076316
1-Propylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91339078
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
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
(3Z)-3-methyl-2-(methylsulfanylmethyl)-5-(trifluoromethyl)octa-1,3,5-triene
CID 132239726
5-(2,2-Difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
CID 134364769
(3E)-5-(2,2-difluoropent-4-enyl)-3-(1-iodoethylidene)-2-methylidenethiophene
CID 134364774
2,4,5-Trimethyl-1-(2,2,2-trifluoroethylsulfanyl)cyclohepta-1,3,5-triene
CID 134569633
(3E,4Z)-3-ethylidene-7,7,7-trifluoro-2-methylsulfanylhepta-1,4-diene
CID 134569800

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene?
The IUPAC name of 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene (CID 123823833) is 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene.
What is the SMILES notation for 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene?
The canonical SMILES for 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene is C=c1cc(CC(F)(F)F)sc1=CC.
What is the InChIKey of 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene?
The InChIKey is WIJKKEBAOWIRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3S/c1-3-8-6(2)4-7(13-8)5-9(10,11)12/h3-4H,2,5H2,1H3.
What are the key properties of 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene?
2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene has a molecular weight of 206.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene is sourced from PubChem (CID 123823833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).