6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one

C16H11F3O3 — CID 71559779

IUPAC6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2
InChIKeyHSTJKFDGUZMVEG-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.95
Rot. Bonds3

About 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one

6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one (PubChem CID 71559779) has the molecular formula C16H11F3O3 and a molecular weight of 308.25 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one
PubChem CID71559779
Molecular FormulaC16H11F3O3
Molecular Weight308.25 g/mol
Exact Mass308.07
IUPAC Name6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2
InChIKeyHSTJKFDGUZMVEG-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?
The IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one (CID 71559779) is 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?
The canonical SMILES for 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one is O=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?
The InChIKey is HSTJKFDGUZMVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2.
What are the key properties of 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?
6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one has a molecular weight of 308.25 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 71559779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).