6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one

C10H10F2O2 — CID 102568117

IUPAC6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1cc2c(o1)CC(C(F)F)CC2=O
InChIInChI=1S/C10H10F2O2/c1-5-2-7-8(13)3-6(10(11)12)4-9(7)14-5/h2,6,10H,3-4H2,1H3
InChIKeyPWRAWWOYCVQJTL-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.60
Rot. Bonds1

About 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one

6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 102568117) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID102568117
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1cc2c(o1)CC(C(F)F)CC2=O
InChIInChI=1S/C10H10F2O2/c1-5-2-7-8(13)3-6(10(11)12)4-9(7)14-5/h2,6,10H,3-4H2,1H3
InChIKeyPWRAWWOYCVQJTL-UHFFFAOYSA-N
XLogP2.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one (CID 102568117) is 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one is Cc1cc2c(o1)CC(C(F)F)CC2=O.
What is the InChIKey of 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is PWRAWWOYCVQJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-5-2-7-8(13)3-6(10(11)12)4-9(7)14-5/h2,6,10H,3-4H2,1H3.
What are the key properties of 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 200.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 102568117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).