2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane

C14H16F2O2 — CID 142724427

IUPAC2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane
SMILESFC1(F)Cc2ccccc2C1OC1CCCCO1
InChIInChI=1S/C14H16F2O2/c15-14(16)9-10-5-1-2-6-11(10)13(14)18-12-7-3-4-8-17-12/h1-2,5-6,12-13H,3-4,7-9H2
InChIKeyIAGIJGBUUOLYMB-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.46
Rot. Bonds2

About 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane

2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane (PubChem CID 142724427) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane.

Molecular Properties

Compound Name2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane
PubChem CID142724427
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane
SMILESFC1(F)Cc2ccccc2C1OC1CCCCO1
InChIInChI=1S/C14H16F2O2/c15-14(16)9-10-5-1-2-6-11(10)13(14)18-12-7-3-4-8-17-12/h1-2,5-6,12-13H,3-4,7-9H2
InChIKeyIAGIJGBUUOLYMB-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin
CID 87453
Indeno[1,2-d]-1,3-dioxin, 4,4a,5,9b-tetrahydro-2,4-dimethyl-
CID 119674
2H-Pyran, tetrahydro-2-(1-phenylethoxy)-
CID 10998197
1-(Diethoxymethyl)-2-(trifluoromethyl)benzene
CID 177723496
(2-fluoro-2,3-dihydro-1H-inden-1-yl) 2,2,2-trifluoroacetate
CID 154713436
(1R,4S)-4,5-difluoro-1-methoxy-3,4-dihydro-1H-isochromene
CID 164673291
(1R,4S)-4-fluoro-1-methoxy-3,4-dihydro-1H-isochromene
CID 164673837
(1R,4S)-4,8-difluoro-1-methoxy-3,4-dihydro-1H-isochromene
CID 164674224
2-Isopropyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
CID 2832760
2-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]oxane
CID 134899215
(2S,4S,4aR,9bS)-2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
CID 1378749
2-(1-Phenylpropoxy)oxane
CID 11148725

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane?
The IUPAC name of 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane (CID 142724427) is 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane.
What is the SMILES notation for 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane?
The canonical SMILES for 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane is FC1(F)Cc2ccccc2C1OC1CCCCO1.
What is the InChIKey of 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane?
The InChIKey is IAGIJGBUUOLYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c15-14(16)9-10-5-1-2-6-11(10)13(14)18-12-7-3-4-8-17-12/h1-2,5-6,12-13H,3-4,7-9H2.
What are the key properties of 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane?
2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane has a molecular weight of 254.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane is sourced from PubChem (CID 142724427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).