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

C9H11F3OS — CID 137411203

IUPAC2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol
SMILESCC(C)c1ccc(C(O)C(F)(F)F)s1
InChIInChI=1S/C9H11F3OS/c1-5(2)6-3-4-7(14-6)8(13)9(10,11)12/h3-5,8,13H,1-2H3
InChIKeyMDHQMFMCSZFCOW-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.47
Rot. Bonds2

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

2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol (PubChem CID 137411203) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol
PubChem CID137411203
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol
SMILESCC(C)c1ccc(C(O)C(F)(F)F)s1
InChIInChI=1S/C9H11F3OS/c1-5(2)6-3-4-7(14-6)8(13)9(10,11)12/h3-5,8,13H,1-2H3
InChIKeyMDHQMFMCSZFCOW-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.47
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-(5-propan-2-ylthiophen-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol (CID 137411203) is 2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol is CC(C)c1ccc(C(O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol?
The InChIKey is MDHQMFMCSZFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-5(2)6-3-4-7(14-6)8(13)9(10,11)12/h3-5,8,13H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol?
2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol has a molecular weight of 224.25 g/mol, XLogP of 3.47, 2 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-(5-propan-2-ylthiophen-2-yl)ethanol is sourced from PubChem (CID 137411203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).