2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran

C11H12F2O2 — CID 145338313

IUPAC2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(COC(F)F)O2
InChIInChI=1S/C11H12F2O2/c1-7-2-3-10-8(4-7)5-9(15-10)6-14-11(12)13/h2-4,9,11H,5-6H2,1H3
InChIKeyHXDLOSZXQDXONI-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.54
Rot. Bonds3

About 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran

2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 145338313) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID145338313
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(COC(F)F)O2
InChIInChI=1S/C11H12F2O2/c1-7-2-3-10-8(4-7)5-9(15-10)6-14-11(12)13/h2-4,9,11H,5-6H2,1H3
InChIKeyHXDLOSZXQDXONI-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 82727713
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360807
2-[(2-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360595
2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360407
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
CID 66362925
N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine
CID 66360236
O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine
CID 117202822
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 115956664
4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66362667

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran (CID 145338313) is 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CC(COC(F)F)O2.
What is the InChIKey of 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is HXDLOSZXQDXONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7-2-3-10-8(4-7)5-9(15-10)6-14-11(12)13/h2-4,9,11H,5-6H2,1H3.
What are the key properties of 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran?
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 214.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 145338313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).