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

C12H9F3O2 — CID 102226661

IUPAC3-methoxy-2-[4-(trifluoromethyl)phenyl]furan
SMILESCOc1ccoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3O2/c1-16-10-6-7-17-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3
InChIKeyHYVQBNZUHUXCQJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.97
Rot. Bonds2

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

3-methoxy-2-[4-(trifluoromethyl)phenyl]furan (PubChem CID 102226661) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name3-methoxy-2-[4-(trifluoromethyl)phenyl]furan
PubChem CID102226661
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name3-methoxy-2-[4-(trifluoromethyl)phenyl]furan
SMILESCOc1ccoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3O2/c1-16-10-6-7-17-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3
InChIKeyHYVQBNZUHUXCQJ-UHFFFAOYSA-N
XLogP3.97
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan?
The IUPAC name of 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan (CID 102226661) is 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan is COc1ccoc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan?
The InChIKey is HYVQBNZUHUXCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c1-16-10-6-7-17-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3.
What are the key properties of 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan?
3-methoxy-2-[4-(trifluoromethyl)phenyl]furan has a molecular weight of 242.20 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 102226661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).