2-propan-2-yl-4-(trifluoromethoxy)thiophene

C8H9F3OS — CID 144946131

IUPAC2-propan-2-yl-4-(trifluoromethoxy)thiophene
SMILESCC(C)c1cc(OC(F)(F)F)cs1
InChIInChI=1S/C8H9F3OS/c1-5(2)7-3-6(4-13-7)12-8(9,10)11/h3-5H,1-2H3
InChIKeyQOXLUUXFTTUHDF-UHFFFAOYSA-N
MW210.22 g/mol
LogP3.77
Rot. Bonds2

About 2-propan-2-yl-4-(trifluoromethoxy)thiophene

2-propan-2-yl-4-(trifluoromethoxy)thiophene (PubChem CID 144946131) has the molecular formula C8H9F3OS and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-propan-2-yl-4-(trifluoromethoxy)thiophene.

Molecular Properties

Compound Name2-propan-2-yl-4-(trifluoromethoxy)thiophene
PubChem CID144946131
Molecular FormulaC8H9F3OS
Molecular Weight210.22 g/mol
Exact Mass210.03
IUPAC Name2-propan-2-yl-4-(trifluoromethoxy)thiophene
SMILESCC(C)c1cc(OC(F)(F)F)cs1
InChIInChI=1S/C8H9F3OS/c1-5(2)7-3-6(4-13-7)12-8(9,10)11/h3-5H,1-2H3
InChIKeyQOXLUUXFTTUHDF-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(trifluoromethoxy)thiophene?
The IUPAC name of 2-propan-2-yl-4-(trifluoromethoxy)thiophene (CID 144946131) is 2-propan-2-yl-4-(trifluoromethoxy)thiophene.
What is the SMILES notation for 2-propan-2-yl-4-(trifluoromethoxy)thiophene?
The canonical SMILES for 2-propan-2-yl-4-(trifluoromethoxy)thiophene is CC(C)c1cc(OC(F)(F)F)cs1.
What is the InChIKey of 2-propan-2-yl-4-(trifluoromethoxy)thiophene?
The InChIKey is QOXLUUXFTTUHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3OS/c1-5(2)7-3-6(4-13-7)12-8(9,10)11/h3-5H,1-2H3.
What are the key properties of 2-propan-2-yl-4-(trifluoromethoxy)thiophene?
2-propan-2-yl-4-(trifluoromethoxy)thiophene has a molecular weight of 210.22 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(trifluoromethoxy)thiophene is sourced from PubChem (CID 144946131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).