1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol

C9H10ClF3OS — CID 79952730

IUPAC1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C9H10ClF3OS/c10-8-2-1-7(15-8)5-6(14)3-4-9(11,12)13/h1-2,6,14H,3-5H2
InChIKeyJIAXEASEXBEXLF-UHFFFAOYSA-N
MW258.69 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol

1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol (PubChem CID 79952730) has the molecular formula C9H10ClF3OS and a molecular weight of 258.69 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol
PubChem CID79952730
Molecular FormulaC9H10ClF3OS
Molecular Weight258.69 g/mol
Exact Mass258.01
IUPAC Name1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C9H10ClF3OS/c10-8-2-1-7(15-8)5-6(14)3-4-9(11,12)13/h1-2,6,14H,3-5H2
InChIKeyJIAXEASEXBEXLF-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol (CID 79952730) is 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol is OC(CCC(F)(F)F)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is JIAXEASEXBEXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3OS/c10-8-2-1-7(15-8)5-6(14)3-4-9(11,12)13/h1-2,6,14H,3-5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol?
1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 258.69 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 79952730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).