2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene

C11H5Br2F3S — CID 53441536

IUPAC2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESFC(F)(F)c1ccc(-c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C11H5Br2F3S/c12-8-5-9(17-10(8)13)6-1-3-7(4-2-6)11(14,15)16/h1-5H
InChIKeyAETGWPXCHQYRTO-UHFFFAOYSA-N
MW386.03 g/mol
LogP5.96
Rot. Bonds1

About 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene

2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 53441536) has the molecular formula C11H5Br2F3S and a molecular weight of 386.03 g/mol. Its IUPAC name is 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID53441536
Molecular FormulaC11H5Br2F3S
Molecular Weight386.03 g/mol
Exact Mass383.84
IUPAC Name2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESFC(F)(F)c1ccc(-c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C11H5Br2F3S/c12-8-5-9(17-10(8)13)6-1-3-7(4-2-6)11(14,15)16/h1-5H
InChIKeyAETGWPXCHQYRTO-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.03
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 80535664
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80532396
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride
CID 42614722
2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one
CID 11666508
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
CID 59066519
[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 151698455
5-[4-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
CID 11242212
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]
CID 132575450

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene (CID 53441536) is 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene is FC(F)(F)c1ccc(-c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is AETGWPXCHQYRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2F3S/c12-8-5-9(17-10(8)13)6-1-3-7(4-2-6)11(14,15)16/h1-5H.
What are the key properties of 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene?
2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 386.03 g/mol, XLogP of 5.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 53441536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).