1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran

C22H12F6O — CID 11961545

IUPAC1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
SMILESFC(F)(F)c1ccc(-c2oc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H12F6O/c23-21(24,25)15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(29-19)14-7-11-16(12-8-14)22(26,27)28/h1-12H
InChIKeyUPZHPETZUMDVSS-UHFFFAOYSA-N
MW406.33 g/mol
LogP7.80
Rot. Bonds2

About 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran

1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran (PubChem CID 11961545) has the molecular formula C22H12F6O and a molecular weight of 406.33 g/mol. Its IUPAC name is 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran.

Molecular Properties

Compound Name1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
PubChem CID11961545
Molecular FormulaC22H12F6O
Molecular Weight406.33 g/mol
Exact Mass406.08
IUPAC Name1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
SMILESFC(F)(F)c1ccc(-c2oc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H12F6O/c23-21(24,25)15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(29-19)14-7-11-16(12-8-14)22(26,27)28/h1-12H
InChIKeyUPZHPETZUMDVSS-UHFFFAOYSA-N
XLogP7.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran
CID 138393025
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122205192
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
CID 14835385
1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene
CID 86233116
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 139258305
9,20-bis[4-(trifluoromethyl)phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 46177256
2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one
CID 163637979
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
1-[3,4-bis[4-(trifluoromethyl)phenyl]isoquinolin-1-yl]-3,4-bis[4-(trifluoromethyl)phenyl]isoquinoline
CID 169227849

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran?
The IUPAC name of 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran (CID 11961545) is 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran.
What is the SMILES notation for 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran?
The canonical SMILES for 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran is FC(F)(F)c1ccc(-c2oc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1.
What is the InChIKey of 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran?
The InChIKey is UPZHPETZUMDVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6O/c23-21(24,25)15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(29-19)14-7-11-16(12-8-14)22(26,27)28/h1-12H.
What are the key properties of 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran?
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran has a molecular weight of 406.33 g/mol, XLogP of 7.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran is sourced from PubChem (CID 11961545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).