2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene

C10H9BrF6S — CID 103310684

IUPAC2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C10H9BrF6S/c1-2-5-3-4-6(18-5)7(11)8(9(12,13)14)10(15,16)17/h3-4,7-8H,2H2,1H3
InChIKeyUKMOVXYEIISXIA-UHFFFAOYSA-N
MW355.14 g/mol
LogP5.49
Rot. Bonds3

About 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene

2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene (PubChem CID 103310684) has the molecular formula C10H9BrF6S and a molecular weight of 355.14 g/mol. Its IUPAC name is 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
PubChem CID103310684
Molecular FormulaC10H9BrF6S
Molecular Weight355.14 g/mol
Exact Mass353.95
IUPAC Name2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C10H9BrF6S/c1-2-5-3-4-6(18-5)7(11)8(9(12,13)14)10(15,16)17/h3-4,7-8H,2H2,1H3
InChIKeyUKMOVXYEIISXIA-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.14
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
CID 61082727
2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
CID 103310733
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene
CID 107333358
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
2-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylthiophene
CID 63438170
2-benzhydryl-5-ethylthiophene
CID 177490577
2-(1-chloro-2,2-dimethylpropyl)-5-ethylthiophene
CID 63430858
2-[bromo-(4-fluoro-2,6-dimethylphenyl)methyl]-5-ethylthiophene
CID 106880074
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 62345929
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene?
The IUPAC name of 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene (CID 103310684) is 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene.
What is the SMILES notation for 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene?
The canonical SMILES for 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene is CCc1ccc(C(Br)C(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene?
The InChIKey is UKMOVXYEIISXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF6S/c1-2-5-3-4-6(18-5)7(11)8(9(12,13)14)10(15,16)17/h3-4,7-8H,2H2,1H3.
What are the key properties of 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene?
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene has a molecular weight of 355.14 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene is sourced from PubChem (CID 103310684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).