2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan

C18H13F3O2 — CID 132514370

IUPAC2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
SMILESCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C18H13F3O2/c1-22-15-8-4-13(5-9-15)17-11-10-16(23-17)12-2-6-14(7-3-12)18(19,20)21/h2-11H,1H3
InChIKeyYONNVJSEBBMDDI-UHFFFAOYSA-N
MW318.29 g/mol
LogP5.64
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan

2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan (PubChem CID 132514370) has the molecular formula C18H13F3O2 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
PubChem CID132514370
Molecular FormulaC18H13F3O2
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
SMILESCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C18H13F3O2/c1-22-15-8-4-13(5-9-15)17-11-10-16(23-17)12-2-6-14(7-3-12)18(19,20)21/h2-11H,1H3
InChIKeyYONNVJSEBBMDDI-UHFFFAOYSA-N
XLogP5.64
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.29
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
2-tert-butyl-5-(4-methoxyphenyl)furan
CID 59671510
5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
CID 146168552
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine
CID 18874685
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
5-[4-(trifluoromethyl)phenyl]furan-2-carbothioamide
CID 94280906

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan (CID 132514370) is 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan is COc1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan?
The InChIKey is YONNVJSEBBMDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O2/c1-22-15-8-4-13(5-9-15)17-11-10-16(23-17)12-2-6-14(7-3-12)18(19,20)21/h2-11H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan?
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan has a molecular weight of 318.29 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 132514370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).