(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone

C16H9F3O2 — CID 115808342

IUPAC(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1cccc2cc(C(=O)c3ccc(F)c(F)c3F)oc12
InChIInChI=1S/C16H9F3O2/c1-8-3-2-4-9-7-12(21-16(8)9)15(20)10-5-6-11(17)14(19)13(10)18/h2-7H,1H3
InChIKeyXXDYGCONNLNTIU-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.39
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone

(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 115808342) has the molecular formula C16H9F3O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID115808342
Molecular FormulaC16H9F3O2
Molecular Weight290.24 g/mol
Exact Mass290.06
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1cccc2cc(C(=O)c3ccc(F)c(F)c3F)oc12
InChIInChI=1S/C16H9F3O2/c1-8-3-2-4-9-7-12(21-16(8)9)15(20)10-5-6-11(17)14(19)13(10)18/h2-7H,1H3
InChIKeyXXDYGCONNLNTIU-UHFFFAOYSA-N
XLogP4.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115808386
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone (CID 115808342) is (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone is Cc1cccc2cc(C(=O)c3ccc(F)c(F)c3F)oc12.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is XXDYGCONNLNTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3O2/c1-8-3-2-4-9-7-12(21-16(8)9)15(20)10-5-6-11(17)14(19)13(10)18/h2-7H,1H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone?
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 290.24 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 115808342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).