2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol

C13H11F3OS — CID 175240042

IUPAC2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol
SMILESOCCc1csc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H11F3OS/c14-13(15,16)11-3-1-10(2-4-11)12-7-9(5-6-17)8-18-12/h1-4,7-8,17H,5-6H2
InChIKeyONAIQMQGHVOFCU-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.97
Rot. Bonds3

About 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol

2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol (PubChem CID 175240042) has the molecular formula C13H11F3OS and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol
PubChem CID175240042
Molecular FormulaC13H11F3OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol
SMILESOCCc1csc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H11F3OS/c14-13(15,16)11-3-1-10(2-4-11)12-7-9(5-6-17)8-18-12/h1-4,7-8,17H,5-6H2
InChIKeyONAIQMQGHVOFCU-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol?
The IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol (CID 175240042) is 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol.
What is the SMILES notation for 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol?
The canonical SMILES for 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol is OCCc1csc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol?
The InChIKey is ONAIQMQGHVOFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3OS/c14-13(15,16)11-3-1-10(2-4-11)12-7-9(5-6-17)8-18-12/h1-4,7-8,17H,5-6H2.
What are the key properties of 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol?
2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol has a molecular weight of 272.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanol is sourced from PubChem (CID 175240042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).