(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone

C16H11F3O2 — CID 65101051

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCC1Cc2cc(C(=O)c3c(F)cc(F)cc3F)ccc2O1
InChIInChI=1S/C16H11F3O2/c1-8-4-10-5-9(2-3-14(10)21-8)16(20)15-12(18)6-11(17)7-13(15)19/h2-3,5-8H,4H2,1H3
InChIKeyWQVODKNTDSKZFT-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.66
Rot. Bonds2

About (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 65101051) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID65101051
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCC1Cc2cc(C(=O)c3c(F)cc(F)cc3F)ccc2O1
InChIInChI=1S/C16H11F3O2/c1-8-4-10-5-9(2-3-14(10)21-8)16(20)15-12(18)6-11(17)7-13(15)19/h2-3,5-8H,4H2,1H3
InChIKeyWQVODKNTDSKZFT-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297091
(4-bromo-3-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 63491672
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
CID 43463835
(Z)-3-(4-fluorophenyl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one
CID 92966641
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone (CID 65101051) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone is CC1Cc2cc(C(=O)c3c(F)cc(F)cc3F)ccc2O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is WQVODKNTDSKZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c1-8-4-10-5-9(2-3-14(10)21-8)16(20)15-12(18)6-11(17)7-13(15)19/h2-3,5-8H,4H2,1H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 292.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 65101051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).