2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran

C20H26F2O3 — CID 157211355

IUPAC2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran
SMILESCC.CC.CC1Cc2ccccc2O1.FC1(F)Oc2ccccc2O1
InChIInChI=1S/C9H10O.C7H4F2O2.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;8-7(9)10-5-3-1-2-4-6(5)11-7;2*1-2/h2-5,7H,6H2,1H3;1-4H;2*1-2H3
InChIKeyARXQDUSOJNIPKK-UHFFFAOYSA-N
MW352.42 g/mol
LogP6.07
Rot. Bonds

About 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran

2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 157211355) has the molecular formula C20H26F2O3 and a molecular weight of 352.42 g/mol. Its IUPAC name is 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran
PubChem CID157211355
Molecular FormulaC20H26F2O3
Molecular Weight352.42 g/mol
Exact Mass352.19
IUPAC Name2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran
SMILESCC.CC.CC1Cc2ccccc2O1.FC1(F)Oc2ccccc2O1
InChIInChI=1S/C9H10O.C7H4F2O2.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;8-7(9)10-5-3-1-2-4-6(5)11-7;2*1-2/h2-5,7H,6H2,1H3;1-4H;2*1-2H3
InChIKeyARXQDUSOJNIPKK-UHFFFAOYSA-N
XLogP6.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
(2-methyl-3,4-dihydro-2H-chromen-3-yl)methanol
CID 130824833
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 166099874
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide
CID 63677632

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran (CID 157211355) is 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran is CC.CC.CC1Cc2ccccc2O1.FC1(F)Oc2ccccc2O1.
What is the InChIKey of 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is ARXQDUSOJNIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C7H4F2O2.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;8-7(9)10-5-3-1-2-4-6(5)11-7;2*1-2/h2-5,7H,6H2,1H3;1-4H;2*1-2H3.
What are the key properties of 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran?
2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 352.42 g/mol, XLogP of 6.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 157211355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).