2-[[3-(trifluoromethyl)phenoxy]methyl]furan

C12H9F3O2 — CID 101055355

IUPAC2-[[3-(trifluoromethyl)phenoxy]methyl]furan
SMILESFC(F)(F)c1cccc(OCc2ccco2)c1
InChIInChI=1S/C12H9F3O2/c13-12(14,15)9-3-1-4-10(7-9)17-8-11-5-2-6-16-11/h1-7H,8H2
InChIKeyLNNDQOLTORSTFW-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.88
Rot. Bonds3

About 2-[[3-(trifluoromethyl)phenoxy]methyl]furan

2-[[3-(trifluoromethyl)phenoxy]methyl]furan (PubChem CID 101055355) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenoxy]methyl]furan.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenoxy]methyl]furan
PubChem CID101055355
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2-[[3-(trifluoromethyl)phenoxy]methyl]furan
SMILESFC(F)(F)c1cccc(OCc2ccco2)c1
InChIInChI=1S/C12H9F3O2/c13-12(14,15)9-3-1-4-10(7-9)17-8-11-5-2-6-16-11/h1-7H,8H2
InChIKeyLNNDQOLTORSTFW-UHFFFAOYSA-N
XLogP3.88
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenoxy]methyl]furan?
The IUPAC name of 2-[[3-(trifluoromethyl)phenoxy]methyl]furan (CID 101055355) is 2-[[3-(trifluoromethyl)phenoxy]methyl]furan.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenoxy]methyl]furan?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenoxy]methyl]furan is FC(F)(F)c1cccc(OCc2ccco2)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenoxy]methyl]furan?
The InChIKey is LNNDQOLTORSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c13-12(14,15)9-3-1-4-10(7-9)17-8-11-5-2-6-16-11/h1-7H,8H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenoxy]methyl]furan?
2-[[3-(trifluoromethyl)phenoxy]methyl]furan has a molecular weight of 242.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenoxy]methyl]furan is sourced from PubChem (CID 101055355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).