2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan

C12H9F3O3 — CID 168525707

IUPAC2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccco1
InChIInChI=1S/C12H9F3O3/c1-16-11-7-8(18-12(13,14)15)4-5-9(11)10-3-2-6-17-10/h2-7H,1H3
InChIKeyJDEVGWMUXXJFDT-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.85
Rot. Bonds3

About 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan

2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan (PubChem CID 168525707) has the molecular formula C12H9F3O3 and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan.

Molecular Properties

Compound Name2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
PubChem CID168525707
Molecular FormulaC12H9F3O3
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccco1
InChIInChI=1S/C12H9F3O3/c1-16-11-7-8(18-12(13,14)15)4-5-9(11)10-3-2-6-17-10/h2-7H,1H3
InChIKeyJDEVGWMUXXJFDT-UHFFFAOYSA-N
XLogP3.85
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-5-(trifluoromethoxy)phenyl]furan
CID 168524951
2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
CID 168525465
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
2-(2-bromo-4-methoxyphenyl)furan
CID 168524550
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
[2-methoxy-5-(trifluoromethoxy)phenyl]azanide
CID 158966007
2-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524965
1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole
CID 168525253
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
CID 143015150
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan?
The IUPAC name of 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan (CID 168525707) is 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan.
What is the SMILES notation for 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan?
The canonical SMILES for 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan is COc1cc(OC(F)(F)F)ccc1-c1ccco1.
What is the InChIKey of 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan?
The InChIKey is JDEVGWMUXXJFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O3/c1-16-11-7-8(18-12(13,14)15)4-5-9(11)10-3-2-6-17-10/h2-7H,1H3.
What are the key properties of 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan?
2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan has a molecular weight of 258.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan is sourced from PubChem (CID 168525707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).