1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol

C8H8BrF3OS — CID 105104586

IUPAC1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C8H8BrF3OS/c9-7-3-5(4-14-7)6(13)1-2-8(10,11)12/h3-4,6,13H,1-2H2
InChIKeyNXBSRCBUPPEUKI-UHFFFAOYSA-N
MW289.12 g/mol
LogP3.89
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol

1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 105104586) has the molecular formula C8H8BrF3OS and a molecular weight of 289.12 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID105104586
Molecular FormulaC8H8BrF3OS
Molecular Weight289.12 g/mol
Exact Mass287.94
IUPAC Name1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C8H8BrF3OS/c9-7-3-5(4-14-7)6(13)1-2-8(10,11)12/h3-4,6,13H,1-2H2
InChIKeyNXBSRCBUPPEUKI-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028428
1-(5-bromothiophen-3-yl)-4-methoxybutan-1-ol
CID 105132747
1-(5-bromothiophen-3-yl)hex-5-yn-1-ol
CID 105124621
1-(5-bromothiophen-3-yl)hex-4-yn-1-ol
CID 105126513
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
CID 64565140
1-(5-bromothiophen-3-yl)pent-3-yn-1-ol
CID 105082386
1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-one
CID 105106783
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64565557
1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
CID 106848279

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol (CID 105104586) is 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is NXBSRCBUPPEUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3OS/c9-7-3-5(4-14-7)6(13)1-2-8(10,11)12/h3-4,6,13H,1-2H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol?
1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 289.12 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 105104586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).