1-[4-(trifluoromethyl)thiophen-2-yl]ethanol

C7H7F3OS — CID 68589504

IUPAC1-[4-(trifluoromethyl)thiophen-2-yl]ethanol
SMILESCC(O)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C7H7F3OS/c1-4(11)6-2-5(3-12-6)7(8,9)10/h2-4,11H,1H3
InChIKeyLXFOFZZEVUZKQA-UHFFFAOYSA-N
MW196.19 g/mol
LogP2.82
Rot. Bonds1

About 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol

1-[4-(trifluoromethyl)thiophen-2-yl]ethanol (PubChem CID 68589504) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)thiophen-2-yl]ethanol
PubChem CID68589504
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name1-[4-(trifluoromethyl)thiophen-2-yl]ethanol
SMILESCC(O)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C7H7F3OS/c1-4(11)6-2-5(3-12-6)7(8,9)10/h2-4,11H,1H3
InChIKeyLXFOFZZEVUZKQA-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol?
The IUPAC name of 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol (CID 68589504) is 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol.
What is the SMILES notation for 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol?
The canonical SMILES for 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol is CC(O)c1cc(C(F)(F)F)cs1.
What is the InChIKey of 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol?
The InChIKey is LXFOFZZEVUZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3OS/c1-4(11)6-2-5(3-12-6)7(8,9)10/h2-4,11H,1H3.
What are the key properties of 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol?
1-[4-(trifluoromethyl)thiophen-2-yl]ethanol has a molecular weight of 196.19 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)thiophen-2-yl]ethanol is sourced from PubChem (CID 68589504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).