3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene

C9H11F3OS — CID 130377716

IUPAC3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCOc1cc(C(F)(F)F)sc1C(C)C
InChIInChI=1S/C9H11F3OS/c1-5(2)8-6(13-3)4-7(14-8)9(10,11)12/h4-5H,1-3H3
InChIKeyKXFJNNCEPOVYCD-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.90
Rot. Bonds2

About 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene

3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 130377716) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID130377716
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCOc1cc(C(F)(F)F)sc1C(C)C
InChIInChI=1S/C9H11F3OS/c1-5(2)8-6(13-3)4-7(14-8)9(10,11)12/h4-5H,1-3H3
InChIKeyKXFJNNCEPOVYCD-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 130377716) is 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene is COc1cc(C(F)(F)F)sc1C(C)C.
What is the InChIKey of 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is KXFJNNCEPOVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-5(2)8-6(13-3)4-7(14-8)9(10,11)12/h4-5H,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene?
3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 224.25 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 130377716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).