2-[(E)-1,2-difluoroethenyl]-5-methylthiophene

C7H6F2S — CID 15970252

IUPAC2-[(E)-1,2-difluoroethenyl]-5-methylthiophene
SMILESCc1ccc(/C(F)=C\F)s1
InChIInChI=1S/C7H6F2S/c1-5-2-3-7(10-5)6(9)4-8/h2-4H,1H3/b6-4+
InChIKeySOTNGVMBINUWAR-GQCTYLIASA-N
MW160.19 g/mol
LogP3.29
Rot. Bonds1

About 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene

2-[(E)-1,2-difluoroethenyl]-5-methylthiophene (PubChem CID 15970252) has the molecular formula C7H6F2S and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(E)-1,2-difluoroethenyl]-5-methylthiophene
PubChem CID15970252
Molecular FormulaC7H6F2S
Molecular Weight160.19 g/mol
Exact Mass160.02
IUPAC Name2-[(E)-1,2-difluoroethenyl]-5-methylthiophene
SMILESCc1ccc(/C(F)=C\F)s1
InChIInChI=1S/C7H6F2S/c1-5-2-3-7(10-5)6(9)4-8/h2-4H,1H3/b6-4+
InChIKeySOTNGVMBINUWAR-GQCTYLIASA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
CID 10912143
(1Z)-1-(5-methylthiophen-2-yl)buta-1,3-diene-1-thiol
CID 142100877
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
2-(1-cyclopropylethenyl)-5-methylthiophene
CID 174334500
trifluoromethyl 5-methylthiophene-2-carboxylate
CID 130678716
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
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene
CID 142216426
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiophene
CID 89097049
ethane;2-[(3Z)-hexa-1,3,5-trien-2-yl]-5-methylthiophene
CID 164530728

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene?
The IUPAC name of 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene (CID 15970252) is 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene.
What is the SMILES notation for 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene?
The canonical SMILES for 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene is Cc1ccc(/C(F)=C\F)s1.
What is the InChIKey of 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene?
The InChIKey is SOTNGVMBINUWAR-GQCTYLIASA-N. The full InChI is InChI=1S/C7H6F2S/c1-5-2-3-7(10-5)6(9)4-8/h2-4H,1H3/b6-4+.
What are the key properties of 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene?
2-[(E)-1,2-difluoroethenyl]-5-methylthiophene has a molecular weight of 160.19 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-difluoroethenyl]-5-methylthiophene is sourced from PubChem (CID 15970252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).