(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone

C16H10F2O2 — CID 114725891

IUPAC(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C16H10F2O2/c1-9-4-11(7-13(18)5-9)16(19)15-8-10-6-12(17)2-3-14(10)20-15/h2-8H,1H3
InChIKeyPZGBUAIPHXTMNE-UHFFFAOYSA-N
MW272.25 g/mol
LogP4.25
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone

(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone (PubChem CID 114725891) has the molecular formula C16H10F2O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
PubChem CID114725891
Molecular FormulaC16H10F2O2
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C16H10F2O2/c1-9-4-11(7-13(18)5-9)16(19)15-8-10-6-12(17)2-3-14(10)20-15/h2-8H,1H3
InChIKeyPZGBUAIPHXTMNE-UHFFFAOYSA-N
XLogP4.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 105132443

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone (CID 114725891) is (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is PZGBUAIPHXTMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O2/c1-9-4-11(7-13(18)5-9)16(19)15-8-10-6-12(17)2-3-14(10)20-15/h2-8H,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone?
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 272.25 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 114725891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).