1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol

C9H10BrF3OS — CID 79953900

IUPAC1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1sccc1Br
InChIInChI=1S/C9H10BrF3OS/c10-7-2-4-15-8(7)5-6(14)1-3-9(11,12)13/h2,4,6,14H,1,3,5H2
InChIKeyMYTXLCBWACSIPZ-UHFFFAOYSA-N
MW303.14 g/mol
LogP3.76
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol

1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol (PubChem CID 79953900) has the molecular formula C9H10BrF3OS and a molecular weight of 303.14 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol
PubChem CID79953900
Molecular FormulaC9H10BrF3OS
Molecular Weight303.14 g/mol
Exact Mass301.96
IUPAC Name1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1sccc1Br
InChIInChI=1S/C9H10BrF3OS/c10-7-2-4-15-8(7)5-6(14)1-3-9(11,12)13/h2,4,6,14H,1,3,5H2
InChIKeyMYTXLCBWACSIPZ-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol (CID 79953900) is 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol is OC(CCC(F)(F)F)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is MYTXLCBWACSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3OS/c10-7-2-4-15-8(7)5-6(14)1-3-9(11,12)13/h2,4,6,14H,1,3,5H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol?
1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 303.14 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 79953900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).