2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene

C14H11Br2F3S — CID 107333358

IUPAC2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)s1
InChIInChI=1S/C14H11Br2F3S/c1-2-9-4-6-12(20-9)13(16)10-5-3-8(15)7-11(10)14(17,18)19/h3-7,13H,2H2,1H3
InChIKeyYEPRLHMKXSVVME-UHFFFAOYSA-N
MW428.11 g/mol
LogP6.58
Rot. Bonds3

About 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene

2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene (PubChem CID 107333358) has the molecular formula C14H11Br2F3S and a molecular weight of 428.11 g/mol. Its IUPAC name is 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene
PubChem CID107333358
Molecular FormulaC14H11Br2F3S
Molecular Weight428.11 g/mol
Exact Mass425.89
IUPAC Name2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)s1
InChIInChI=1S/C14H11Br2F3S/c1-2-9-4-6-12(20-9)13(16)10-5-3-8(15)7-11(10)14(17,18)19/h3-7,13H,2H2,1H3
InChIKeyYEPRLHMKXSVVME-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.11
LogP ≤ 56.58
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

2-[bromo-(5-bromo-2-chlorophenyl)methyl]-5-ethylthiophene
CID 63439227
2-[bromo-(2-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 106862993
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-ethylthiophene
CID 107991596
(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198307
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 63439268
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440927
2-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-5-ethylthiophene
CID 107477597
1-(4-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480749
2,5-dibromo-3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]thiophene
CID 107333377
(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
CID 107333317
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
CID 103310684
3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835721

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene?
The IUPAC name of 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene (CID 107333358) is 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene?
The canonical SMILES for 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene is CCc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)s1.
What is the InChIKey of 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene?
The InChIKey is YEPRLHMKXSVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F3S/c1-2-9-4-6-12(20-9)13(16)10-5-3-8(15)7-11(10)14(17,18)19/h3-7,13H,2H2,1H3.
What are the key properties of 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene?
2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene has a molecular weight of 428.11 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene is sourced from PubChem (CID 107333358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).