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

C16H12F2O2 — CID 43297091

IUPAC(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCC1Cc2cc(C(=O)c3ccc(F)cc3F)ccc2O1
InChIInChI=1S/C16H12F2O2/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-4-3-12(17)8-14(13)18/h2-5,7-9H,6H2,1H3
InChIKeyJYDWLVZEPDGHKE-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.52
Rot. Bonds2

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

(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 43297091) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID43297091
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCC1Cc2cc(C(=O)c3ccc(F)cc3F)ccc2O1
InChIInChI=1S/C16H12F2O2/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-4-3-12(17)8-14(13)18/h2-5,7-9H,6H2,1H3
InChIKeyJYDWLVZEPDGHKE-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (CID 43297091) is (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is CC1Cc2cc(C(=O)c3ccc(F)cc3F)ccc2O1.
What is the InChIKey of (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is JYDWLVZEPDGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-4-3-12(17)8-14(13)18/h2-5,7-9H,6H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 274.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 43297091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).