2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene

C12H10F2S2 — CID 10912143

IUPAC2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
SMILESCc1ccc(/C(F)=C(\F)c2ccc(C)s2)s1
InChIInChI=1S/C12H10F2S2/c1-7-3-5-9(15-7)11(13)12(14)10-6-4-8(2)16-10/h3-6H,1-2H3/b12-11+
InChIKeyCVOCFRJOIKDCFI-VAWYXSNFSA-N
MW256.34 g/mol
LogP5.19
Rot. Bonds2

About 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene

2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene (PubChem CID 10912143) has the molecular formula C12H10F2S2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
PubChem CID10912143
Molecular FormulaC12H10F2S2
Molecular Weight256.34 g/mol
Exact Mass256.02
IUPAC Name2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
SMILESCc1ccc(/C(F)=C(\F)c2ccc(C)s2)s1
InChIInChI=1S/C12H10F2S2/c1-7-3-5-9(15-7)11(13)12(14)10-6-4-8(2)16-10/h3-6H,1-2H3/b12-11+
InChIKeyCVOCFRJOIKDCFI-VAWYXSNFSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.34
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-1,2-difluoroethenyl]-5-methylthiophene
CID 15970252
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
trifluoromethyl 5-methylthiophene-2-carboxylate
CID 130678716
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
2-(1-cyclopropylethenyl)-5-methylthiophene
CID 174334500
2-(5-methylthiophen-2-yl)ethene-1,1,2-tricarbonitrile
CID 142499561
N,5-dimethylthiophene-2-carbohydrazide
CID 90946987
2-hydroxy-1-(5-methylthiophen-2-yl)propan-1-one
CID 103451511
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
1-(5-methylthiophen-2-yl)pent-3-yn-1-one
CID 114964957
2-bromo-1-(5-methylthiophen-2-yl)butan-1-one
CID 63386434
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene?
The IUPAC name of 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene (CID 10912143) is 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene.
What is the SMILES notation for 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene?
The canonical SMILES for 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene is Cc1ccc(/C(F)=C(\F)c2ccc(C)s2)s1.
What is the InChIKey of 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene?
The InChIKey is CVOCFRJOIKDCFI-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H10F2S2/c1-7-3-5-9(15-7)11(13)12(14)10-6-4-8(2)16-10/h3-6H,1-2H3/b12-11+.
What are the key properties of 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene?
2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene has a molecular weight of 256.34 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene is sourced from PubChem (CID 10912143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).