2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan

C12H9F3O3 — CID 168525465

IUPAC2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
SMILESCOc1ccc(-c2ccco2)cc1OC(F)(F)F
InChIInChI=1S/C12H9F3O3/c1-16-10-5-4-8(9-3-2-6-17-9)7-11(10)18-12(13,14)15/h2-7H,1H3
InChIKeyGAAWIOVUZSOMET-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.85
Rot. Bonds3

About 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan

2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan (PubChem CID 168525465) has the molecular formula C12H9F3O3 and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan.

Molecular Properties

Compound Name2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
PubChem CID168525465
Molecular FormulaC12H9F3O3
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
SMILESCOc1ccc(-c2ccco2)cc1OC(F)(F)F
InChIInChI=1S/C12H9F3O3/c1-16-10-5-4-8(9-3-2-6-17-9)7-11(10)18-12(13,14)15/h2-7H,1H3
InChIKeyGAAWIOVUZSOMET-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

Analyze 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
CID 168525707
2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide
CID 168526436
4-(furan-2-yl)-2-methoxybenzoic acid
CID 53224787
2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
CID 168525152
[4-(furan-2-yl)-2,6-dimethoxyphenyl]methanamine
CID 150177853
1-[3,4-bis(trifluoromethoxy)phenyl]-2,3-dimethoxybenzene
CID 91307892
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
4-[4-(furan-2-yl)-2-methoxyphenyl]morpholine
CID 168525030
2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan
CID 168527146
[4-(furan-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl] trifluoromethanesulfonate
CID 87225986
2-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524965

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan?
The IUPAC name of 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan (CID 168525465) is 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan.
What is the SMILES notation for 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan?
The canonical SMILES for 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan is COc1ccc(-c2ccco2)cc1OC(F)(F)F.
What is the InChIKey of 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan?
The InChIKey is GAAWIOVUZSOMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O3/c1-16-10-5-4-8(9-3-2-6-17-9)7-11(10)18-12(13,14)15/h2-7H,1H3.
What are the key properties of 2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan?
2-[4-methoxy-3-(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-[4-methoxy-3-(trifluoromethoxy)phenyl]furan is sourced from PubChem (CID 168525465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).