2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran

C16H11F3O2 — CID 155607191

IUPAC2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran
SMILESCc1cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2o1
InChIInChI=1S/C16H11F3O2/c1-10-8-13-3-2-12(9-15(13)20-10)11-4-6-14(7-5-11)21-16(17,18)19/h2-9H,1H3
InChIKeyKBPITBIAUAFRET-UHFFFAOYSA-N
MW292.26 g/mol
LogP5.31
Rot. Bonds2

About 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran

2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran (PubChem CID 155607191) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran.

Molecular Properties

Compound Name2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran
PubChem CID155607191
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran
SMILESCc1cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2o1
InChIInChI=1S/C16H11F3O2/c1-10-8-13-3-2-12(9-15(13)20-10)11-4-6-14(7-5-11)21-16(17,18)19/h2-9H,1H3
InChIKeyKBPITBIAUAFRET-UHFFFAOYSA-N
XLogP5.31
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.26
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine
CID 146655201
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
2-methyl-1-benzofuran-6-thiol
CID 142143307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran?
The IUPAC name of 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran (CID 155607191) is 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran.
What is the SMILES notation for 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran?
The canonical SMILES for 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran is Cc1cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2o1.
What is the InChIKey of 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran?
The InChIKey is KBPITBIAUAFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c1-10-8-13-3-2-12(9-15(13)20-10)11-4-6-14(7-5-11)21-16(17,18)19/h2-9H,1H3.
What are the key properties of 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran?
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran has a molecular weight of 292.26 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran is sourced from PubChem (CID 155607191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).