2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane

C14H22F2O — CID 145338370

IUPAC2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane
SMILESC.CC.Cc1ccc2c(c1)CC(C)(C(F)F)O2
InChIInChI=1S/C11H12F2O.C2H6.CH4/c1-7-3-4-9-8(5-7)6-11(2,14-9)10(12)13;1-2;/h3-5,10H,6H2,1-2H3;1-2H3;1H4
InChIKeyUHCZGAKQUONTSW-UHFFFAOYSA-N
MW244.32 g/mol
LogP4.62
Rot. Bonds1

About 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane

2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane (PubChem CID 145338370) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane.

Molecular Properties

Compound Name2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane
PubChem CID145338370
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane
SMILESC.CC.Cc1ccc2c(c1)CC(C)(C(F)F)O2
InChIInChI=1S/C11H12F2O.C2H6.CH4/c1-7-3-4-9-8(5-7)6-11(2,14-9)10(12)13;1-2;/h3-5,10H,6H2,1-2H3;1-2H3;1H4
InChIKeyUHCZGAKQUONTSW-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

ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran
CID 145338574
2,5-dimethyl-3H-1-benzofuran-2-carboxylic acid;ethane
CID 145338198
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane
CID 145338272
ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 145338251
2,2-difluoro-5-methyl-1,3-dihydroindene
CID 138628579
ethane;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole
CID 145165904
5-(1-chloro-2,2,2-trifluoroethyl)-2,2-dimethyl-3H-1-benzofuran
CID 55061822
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
CID 62325437
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
3-(2,6-dimethyl-4H-1,3-benzodioxin-2-yl)propan-1-amine
CID 115062918

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane?
The IUPAC name of 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane (CID 145338370) is 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane.
What is the SMILES notation for 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane?
The canonical SMILES for 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane is C.CC.Cc1ccc2c(c1)CC(C)(C(F)F)O2.
What is the InChIKey of 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane?
The InChIKey is UHCZGAKQUONTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O.C2H6.CH4/c1-7-3-4-9-8(5-7)6-11(2,14-9)10(12)13;1-2;/h3-5,10H,6H2,1-2H3;1-2H3;1H4.
What are the key properties of 2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane?
2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane 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)-2,5-dimethyl-3H-1-benzofuran;ethane;methane is sourced from PubChem (CID 145338370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).