2-methoxy-3-methyl-5-(trifluoromethyl)thiophene

C7H7F3OS — CID 174536661

IUPAC2-methoxy-3-methyl-5-(trifluoromethyl)thiophene
SMILESCOc1sc(C(F)(F)F)cc1C
InChIInChI=1S/C7H7F3OS/c1-4-3-5(7(8,9)10)12-6(4)11-2/h3H,1-2H3
InChIKeyYPESFNDNKYQWHY-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.08
Rot. Bonds1

About 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene

2-methoxy-3-methyl-5-(trifluoromethyl)thiophene (PubChem CID 174536661) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-methoxy-3-methyl-5-(trifluoromethyl)thiophene
PubChem CID174536661
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name2-methoxy-3-methyl-5-(trifluoromethyl)thiophene
SMILESCOc1sc(C(F)(F)F)cc1C
InChIInChI=1S/C7H7F3OS/c1-4-3-5(7(8,9)10)12-6(4)11-2/h3H,1-2H3
InChIKeyYPESFNDNKYQWHY-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene
CID 155858670
2-methyl-5-(trifluoromethyl)thiophen-3-ol
CID 67949228
5-tert-butyl-2,3-dimethoxythiophene
CID 146379266
7-methoxy-5-methyl-2-(trifluoromethyl)-1-benzothiophene;7-methoxy-2-(trifluoromethyl)-1-benzothiophene-5-carbonitrile
CID 157413643
fluoro formate;2-methoxy-3-methyl-5-phenylthiophene
CID 166155349
methyl 3-(2-methylanilino)-5-(trifluoromethyl)thiophene-2-carboxylate
CID 170555857
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene (CID 174536661) is 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene is COc1sc(C(F)(F)F)cc1C.
What is the InChIKey of 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene?
The InChIKey is YPESFNDNKYQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3OS/c1-4-3-5(7(8,9)10)12-6(4)11-2/h3H,1-2H3.
What are the key properties of 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene?
2-methoxy-3-methyl-5-(trifluoromethyl)thiophene has a molecular weight of 196.19 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 174536661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).