1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol

C6H3Br2F3OS — CID 61081618

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C6H3Br2F3OS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4,12H
InChIKeyAPAQHXPZJOUDQI-UHFFFAOYSA-N
MW339.96 g/mol
LogP3.87
Rot. Bonds1

About 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol

1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol (PubChem CID 61081618) has the molecular formula C6H3Br2F3OS and a molecular weight of 339.96 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol
PubChem CID61081618
Molecular FormulaC6H3Br2F3OS
Molecular Weight339.96 g/mol
Exact Mass337.82
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C6H3Br2F3OS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4,12H
InChIKeyAPAQHXPZJOUDQI-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.96
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromo-2-methylthiophen-3-yl)methanol
CID 65634469
2,2,2-Trifluoro-1-(thiophen-3-yl)ethanol
CID 61644908
1-(5-Bromothiophen-3-yl)-2,2,2-trifluoroethanol
CID 67325125
1-(2-Bromothiophen-3-yl)-1,2,2-trifluoroethanol
CID 68511887
1-[5-Bromo-4-(trifluoromethyl)thiophen-2-yl]ethanol
CID 174674366
1-(2,5-Dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61080668
1-(2,5-Dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
CID 61082423
1-(5-Bromo-2-methylthiophen-3-yl)-2,2,2-trifluoroethanol
CID 65632403
1-(5-Bromo-2-methylthiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 65633242
1-(5-Bromo-2-methylthiophen-3-yl)-3,3,3-trifluoropropan-1-ol
CID 65635533
1-(5-Bromo-2-methylthiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 65715017
1-(2,5-Dibromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 65715627

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol (CID 61081618) is 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol is OC(c1cc(Br)sc1Br)C(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol?
The InChIKey is APAQHXPZJOUDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2F3OS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4,12H.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol?
1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol has a molecular weight of 339.96 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 61081618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).