(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C16H9F3O2 — CID 112723135

IUPAC(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2cc(F)ccc2F)oc2ccc(F)cc12
InChIInChI=1S/C16H9F3O2/c1-8-11-6-10(18)3-5-14(11)21-16(8)15(20)12-7-9(17)2-4-13(12)19/h2-7H,1H3
InChIKeyMNXGHELAPZXCOG-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.39
Rot. Bonds2

About (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 112723135) has the molecular formula C16H9F3O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID112723135
Molecular FormulaC16H9F3O2
Molecular Weight290.24 g/mol
Exact Mass290.06
IUPAC Name(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2cc(F)ccc2F)oc2ccc(F)cc12
InChIInChI=1S/C16H9F3O2/c1-8-11-6-10(18)3-5-14(11)21-16(8)15(20)12-7-9(17)2-4-13(12)19/h2-7H,1H3
InChIKeyMNXGHELAPZXCOG-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

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Related Compounds

(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 105122775
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 113225600
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 112723135) is (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2cc(F)ccc2F)oc2ccc(F)cc12.
What is the InChIKey of (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is MNXGHELAPZXCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3O2/c1-8-11-6-10(18)3-5-14(11)21-16(8)15(20)12-7-9(17)2-4-13(12)19/h2-7H,1H3.
What are the key properties of (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)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 (2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112723135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).