2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol

C15H15F3OS — CID 164918234

IUPAC2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc(-c2ccccc2C(O)C(F)(F)F)s1
InChIInChI=1S/C15H15F3OS/c1-9(2)12-7-8-13(20-12)10-5-3-4-6-11(10)14(19)15(16,17)18/h3-9,14,19H,1-2H3
InChIKeyCOOKNIBEGOZLIV-UHFFFAOYSA-N
MW300.35 g/mol
LogP5.13
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol

2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol (PubChem CID 164918234) has the molecular formula C15H15F3OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol
PubChem CID164918234
Molecular FormulaC15H15F3OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc(-c2ccccc2C(O)C(F)(F)F)s1
InChIInChI=1S/C15H15F3OS/c1-9(2)12-7-8-13(20-12)10-5-3-4-6-11(10)14(19)15(16,17)18/h3-9,14,19H,1-2H3
InChIKeyCOOKNIBEGOZLIV-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol (CID 164918234) is 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol is CC(C)c1ccc(-c2ccccc2C(O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol?
The InChIKey is COOKNIBEGOZLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3OS/c1-9(2)12-7-8-13(20-12)10-5-3-4-6-11(10)14(19)15(16,17)18/h3-9,14,19H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol?
2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol has a molecular weight of 300.35 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol is sourced from PubChem (CID 164918234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).