2-methyl-4-(2,2,2-trifluoroethoxy)thiophene

C7H7F3OS — CID 139386047

IUPAC2-methyl-4-(2,2,2-trifluoroethoxy)thiophene
SMILESCc1cc(OCC(F)(F)F)cs1
InChIInChI=1S/C7H7F3OS/c1-5-2-6(3-12-5)11-4-7(8,9)10/h2-3H,4H2,1H3
InChIKeyPXEVQROXVPESHX-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.00
Rot. Bonds2

About 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene

2-methyl-4-(2,2,2-trifluoroethoxy)thiophene (PubChem CID 139386047) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethoxy)thiophene
PubChem CID139386047
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name2-methyl-4-(2,2,2-trifluoroethoxy)thiophene
SMILESCc1cc(OCC(F)(F)F)cs1
InChIInChI=1S/C7H7F3OS/c1-5-2-6(3-12-5)11-4-7(8,9)10/h2-3H,4H2,1H3
InChIKeyPXEVQROXVPESHX-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene (CID 139386047) is 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene is Cc1cc(OCC(F)(F)F)cs1.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene?
The InChIKey is PXEVQROXVPESHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3OS/c1-5-2-6(3-12-5)11-4-7(8,9)10/h2-3H,4H2,1H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene?
2-methyl-4-(2,2,2-trifluoroethoxy)thiophene has a molecular weight of 196.19 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethoxy)thiophene is sourced from PubChem (CID 139386047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).