1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol

C7H5Br2F3OS — CID 61082423

IUPAC1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C7H5Br2F3OS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4,13H,2H2
InChIKeyVAVPTAYXUHDBEJ-UHFFFAOYSA-N
MW353.99 g/mol
LogP4.26
Rot. Bonds2

About 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol

1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 61082423) has the molecular formula C7H5Br2F3OS and a molecular weight of 353.99 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID61082423
Molecular FormulaC7H5Br2F3OS
Molecular Weight353.99 g/mol
Exact Mass351.84
IUPAC Name1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C7H5Br2F3OS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4,13H,2H2
InChIKeyVAVPTAYXUHDBEJ-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Bromothiophen-2-yl)-2,2,2-trifluoroethanol
CID 19971580
1-(5-Bromothiophen-3-yl)-2,2,2-trifluoroethanol
CID 67325125
1-(2-Bromothiophen-3-yl)-1,2,2-trifluoroethanol
CID 68511887
2,2,3,3,3-Pentafluoro-1-thiophen-3-ylpropan-1-ol
CID 126971202
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)-2,2,2-trifluoroethanol
CID 61081618
3,3,3-Trifluoro-1-thiophen-3-ylpropan-1-ol
CID 65099590
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol (CID 61082423) is 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is VAVPTAYXUHDBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F3OS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4,13H,2H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol?
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 353.99 g/mol, XLogP of 4.26, 2 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)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 61082423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).