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

C17H13F3O — CID 122202477

IUPAC6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran
SMILESCc1ccc2cc(Cc3ccc(C(F)(F)F)cc3)oc2c1
InChIInChI=1S/C17H13F3O/c1-11-2-5-13-10-15(21-16(13)8-11)9-12-3-6-14(7-4-12)17(18,19)20/h2-8,10H,9H2,1H3
InChIKeyDENAQQLRBIPDQE-UHFFFAOYSA-N
MW290.28 g/mol
LogP5.35
Rot. Bonds2

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

6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran (PubChem CID 122202477) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran.

Molecular Properties

Compound Name6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran
PubChem CID122202477
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran
SMILESCc1ccc2cc(Cc3ccc(C(F)(F)F)cc3)oc2c1
InChIInChI=1S/C17H13F3O/c1-11-2-5-13-10-15(21-16(13)8-11)9-12-3-6-14(7-4-12)17(18,19)20/h2-8,10H,9H2,1H3
InChIKeyDENAQQLRBIPDQE-UHFFFAOYSA-N
XLogP5.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.28
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine
CID 117122368
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran
CID 117185797
2-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193767
2,2-dimethyl-3-[6-(trifluoromethyl)-1-benzofuran-2-yl]propanoic acid
CID 117195729
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
ethyl 6-(trifluoromethyl)-1-benzofuran-2-carboxylate
CID 90154398
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
2-[(4-methylphenyl)methyl]-5-(trifluoromethyl)benzenethiol
CID 67458019

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The IUPAC name of 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran (CID 122202477) is 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran.
What is the SMILES notation for 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The canonical SMILES for 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran is Cc1ccc2cc(Cc3ccc(C(F)(F)F)cc3)oc2c1.
What is the InChIKey of 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The InChIKey is DENAQQLRBIPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c1-11-2-5-13-10-15(21-16(13)8-11)9-12-3-6-14(7-4-12)17(18,19)20/h2-8,10H,9H2,1H3.
What are the key properties of 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran has a molecular weight of 290.28 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran is sourced from PubChem (CID 122202477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).