2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane

C14H22F2O — CID 145338272

IUPAC2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane
SMILESCC.CC.Cc1ccc2c(c1)CC(C(F)F)O2
InChIInChI=1S/C10H10F2O.2C2H6/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12;2*1-2/h2-4,9-10H,5H2,1H3;2*1-2H3
InChIKeyVWUOGDLPFBBTPA-UHFFFAOYSA-N
MW244.32 g/mol
LogP4.62
Rot. Bonds1

About 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane

2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane (PubChem CID 145338272) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane
PubChem CID145338272
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane
SMILESCC.CC.Cc1ccc2c(c1)CC(C(F)F)O2
InChIInChI=1S/C10H10F2O.2C2H6/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12;2*1-2/h2-4,9-10H,5H2,1H3;2*1-2H3
InChIKeyVWUOGDLPFBBTPA-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 145338313
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
(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
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66360837
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63434026
1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66391960
N-(2-chloroethyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66362785
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393519

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane?
The IUPAC name of 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane (CID 145338272) is 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane is CC.CC.Cc1ccc2c(c1)CC(C(F)F)O2.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane?
The InChIKey is VWUOGDLPFBBTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O.2C2H6/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12;2*1-2/h2-4,9-10H,5H2,1H3;2*1-2H3.
What are the key properties of 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane?
2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane has a molecular weight of 244.32 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane is sourced from PubChem (CID 145338272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).