2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone

C16H11F3O2 — CID 43338491

IUPAC2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3O2/c17-16(18,19)13-4-2-1-3-12(13)15(20)11-5-6-14-10(9-11)7-8-21-14/h1-6,9H,7-8H2
InChIKeyOTZDZHRFUOOJED-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.87
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone

2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 43338491) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID43338491
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3O2/c17-16(18,19)13-4-2-1-3-12(13)15(20)11-5-6-14-10(9-11)7-8-21-14/h1-6,9H,7-8H2
InChIKeyOTZDZHRFUOOJED-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(4R,5R)-4-bromo-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 67883904
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 37211741
(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160534
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
benzoic acid;ethane;5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 172603158

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone (CID 43338491) is 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is OTZDZHRFUOOJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-16(18,19)13-4-2-1-3-12(13)15(20)11-5-6-14-10(9-11)7-8-21-14/h1-6,9H,7-8H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone?
2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 292.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43338491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).