2-(trifluoromethoxymethyl)thiophene

C6H5F3OS — CID 119098252

IUPAC2-(trifluoromethoxymethyl)thiophene
SMILESFC(F)(F)OCc1cccs1
InChIInChI=1S/C6H5F3OS/c7-6(8,9)10-4-5-2-1-3-11-5/h1-3H,4H2
InChIKeyIWYGREUBUCQKCE-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.78
Rot. Bonds2

About 2-(trifluoromethoxymethyl)thiophene

2-(trifluoromethoxymethyl)thiophene (PubChem CID 119098252) has the molecular formula C6H5F3OS and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(trifluoromethoxymethyl)thiophene.

Molecular Properties

Compound Name2-(trifluoromethoxymethyl)thiophene
PubChem CID119098252
Molecular FormulaC6H5F3OS
Molecular Weight182.17 g/mol
Exact Mass182.00
IUPAC Name2-(trifluoromethoxymethyl)thiophene
SMILESFC(F)(F)OCc1cccs1
InChIInChI=1S/C6H5F3OS/c7-6(8,9)10-4-5-2-1-3-11-5/h1-3H,4H2
InChIKeyIWYGREUBUCQKCE-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxymethyl)thiophene?
The IUPAC name of 2-(trifluoromethoxymethyl)thiophene (CID 119098252) is 2-(trifluoromethoxymethyl)thiophene.
What is the SMILES notation for 2-(trifluoromethoxymethyl)thiophene?
The canonical SMILES for 2-(trifluoromethoxymethyl)thiophene is FC(F)(F)OCc1cccs1.
What is the InChIKey of 2-(trifluoromethoxymethyl)thiophene?
The InChIKey is IWYGREUBUCQKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3OS/c7-6(8,9)10-4-5-2-1-3-11-5/h1-3H,4H2.
What are the key properties of 2-(trifluoromethoxymethyl)thiophene?
2-(trifluoromethoxymethyl)thiophene has a molecular weight of 182.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxymethyl)thiophene is sourced from PubChem (CID 119098252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).