(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene

C11H11F3S — CID 142164566

IUPAC(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene
SMILESC=c1c(C)cs/c1=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C11H11F3S/c1-4-9(11(12,13)14)5-10-8(3)7(2)6-15-10/h4-6H,3H2,1-2H3/b9-4+,10-5+
InChIKeyMMBQEYTXZMULPL-LUZURFALSA-N
MW232.27 g/mol
LogP2.76
Rot. Bonds1

About (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene

(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene (PubChem CID 142164566) has the molecular formula C11H11F3S and a molecular weight of 232.27 g/mol. Its IUPAC name is (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene.

Molecular Properties

Compound Name(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene
PubChem CID142164566
Molecular FormulaC11H11F3S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene
SMILESC=c1c(C)cs/c1=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C11H11F3S/c1-4-9(11(12,13)14)5-10-8(3)7(2)6-15-10/h4-6H,3H2,1-2H3/b9-4+,10-5+
InChIKeyMMBQEYTXZMULPL-LUZURFALSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-3,7-dimethyl-1-(trifluoromethylsulfanyl)octa-2,6-diene
CID 125476027
5-[2-(Trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
CID 166441103
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
CID 87187712
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
CID 91261636
1-Propylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91339078
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propylsulfanylhex-2-ene
CID 91575657
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330

Frequently Asked Questions

What is the IUPAC name of (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene?
The IUPAC name of (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene (CID 142164566) is (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene.
What is the SMILES notation for (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene?
The canonical SMILES for (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene is C=c1c(C)cs/c1=C/C(=C\C)C(F)(F)F.
What is the InChIKey of (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene?
The InChIKey is MMBQEYTXZMULPL-LUZURFALSA-N. The full InChI is InChI=1S/C11H11F3S/c1-4-9(11(12,13)14)5-10-8(3)7(2)6-15-10/h4-6H,3H2,1-2H3/b9-4+,10-5+.
What are the key properties of (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene?
(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene has a molecular weight of 232.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene is sourced from PubChem (CID 142164566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).