[5-(trifluoromethyl)thiophen-3-yl]methanol

C6H5F3OS — CID 19957393

IUPAC[5-(trifluoromethyl)thiophen-3-yl]methanol
SMILESOCc1csc(C(F)(F)F)c1
InChIInChI=1S/C6H5F3OS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3,10H,2H2
InChIKeyJHPPIFOSKSRKDK-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.26
Rot. Bonds1

About [5-(trifluoromethyl)thiophen-3-yl]methanol

[5-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 19957393) has the molecular formula C6H5F3OS and a molecular weight of 182.17 g/mol. Its IUPAC name is [5-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID19957393
Molecular FormulaC6H5F3OS
Molecular Weight182.17 g/mol
Exact Mass182.00
IUPAC Name[5-(trifluoromethyl)thiophen-3-yl]methanol
SMILESOCc1csc(C(F)(F)F)c1
InChIInChI=1S/C6H5F3OS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3,10H,2H2
InChIKeyJHPPIFOSKSRKDK-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)thiophen-3-yl]methanol (CID 19957393) is [5-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)thiophen-3-yl]methanol is OCc1csc(C(F)(F)F)c1.
What is the InChIKey of [5-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is JHPPIFOSKSRKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3OS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3,10H,2H2.
What are the key properties of [5-(trifluoromethyl)thiophen-3-yl]methanol?
[5-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 182.17 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 19957393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).