4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol

C9H11F3OS — CID 165372364

IUPAC4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol
SMILESCC(C)(C)c1csc(O)c1C(F)(F)F
InChIInChI=1S/C9H11F3OS/c1-8(2,3)5-4-14-7(13)6(5)9(10,11)12/h4,13H,1-3H3
InChIKeyLWAJPDNXXFCGQQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.77
Rot. Bonds

About 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol

4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol (PubChem CID 165372364) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol.

Molecular Properties

Compound Name4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol
PubChem CID165372364
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol
SMILESCC(C)(C)c1csc(O)c1C(F)(F)F
InChIInChI=1S/C9H11F3OS/c1-8(2,3)5-4-14-7(13)6(5)9(10,11)12/h4,13H,1-3H3
InChIKeyLWAJPDNXXFCGQQ-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol?
The IUPAC name of 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol (CID 165372364) is 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol.
What is the SMILES notation for 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol?
The canonical SMILES for 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol is CC(C)(C)c1csc(O)c1C(F)(F)F.
What is the InChIKey of 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol?
The InChIKey is LWAJPDNXXFCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-8(2,3)5-4-14-7(13)6(5)9(10,11)12/h4,13H,1-3H3.
What are the key properties of 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol?
4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol has a molecular weight of 224.25 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(trifluoromethyl)thiophen-2-ol is sourced from PubChem (CID 165372364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).