2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene

C9H10BrF3S — CID 130703415

IUPAC2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene
SMILESCCc1cc(C)sc1C(Br)C(F)(F)F
InChIInChI=1S/C9H10BrF3S/c1-3-6-4-5(2)14-7(6)8(10)9(11,12)13/h4,8H,3H2,1-2H3
InChIKeyHNVHJKSDJHWYEC-UHFFFAOYSA-N
MW287.14 g/mol
LogP4.62
Rot. Bonds2

About 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene

2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene (PubChem CID 130703415) has the molecular formula C9H10BrF3S and a molecular weight of 287.14 g/mol. Its IUPAC name is 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene.

Molecular Properties

Compound Name2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene
PubChem CID130703415
Molecular FormulaC9H10BrF3S
Molecular Weight287.14 g/mol
Exact Mass285.96
IUPAC Name2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene
SMILESCCc1cc(C)sc1C(Br)C(F)(F)F
InChIInChI=1S/C9H10BrF3S/c1-3-6-4-5(2)14-7(6)8(10)9(11,12)13/h4,8H,3H2,1-2H3
InChIKeyHNVHJKSDJHWYEC-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene?
The IUPAC name of 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene (CID 130703415) is 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene.
What is the SMILES notation for 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene?
The canonical SMILES for 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene is CCc1cc(C)sc1C(Br)C(F)(F)F.
What is the InChIKey of 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene?
The InChIKey is HNVHJKSDJHWYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3S/c1-3-6-4-5(2)14-7(6)8(10)9(11,12)13/h4,8H,3H2,1-2H3.
What are the key properties of 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene?
2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene has a molecular weight of 287.14 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2,2,2-trifluoroethyl)-3-ethyl-5-methylthiophene is sourced from PubChem (CID 130703415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).