7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]

C13H15FO2 — CID 134259073

IUPAC7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]
SMILESCc1ccc(F)c2c1C1(CC2)OCCCO1
InChIInChI=1S/C13H15FO2/c1-9-3-4-11(14)10-5-6-13(12(9)10)15-7-2-8-16-13/h3-4H,2,5-8H2,1H3
InChIKeyZZPNGQICUDQCLV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.67
Rot. Bonds

About 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]

7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane] (PubChem CID 134259073) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane].

Molecular Properties

Compound Name7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]
PubChem CID134259073
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]
SMILESCc1ccc(F)c2c1C1(CC2)OCCCO1
InChIInChI=1S/C13H15FO2/c1-9-3-4-11(14)10-5-6-13(12(9)10)15-7-2-8-16-13/h3-4H,2,5-8H2,1H3
InChIKeyZZPNGQICUDQCLV-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane] with MolForge

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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
9,9-Dimethoxyfluorene
CID 11521453
7-Fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 135001339
2-Isopropyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
CID 2832760
(2S,4S,4aR,9bS)-2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
CID 1378749
Dimethoxy indane
CID 18402537
(2S,4S,4aS,9bR)-2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
CID 25750481
9,9-Bis methoxy methyl fluorene
CID 54227362
3-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 16244638
5-Fluoro-6,6a-dihydro-1aH-1-oxa-cyclopropa[a]indene
CID 16244643
4-Fluoro-1a,6a-dihydro-6H-indeno[1,2-b]oxirene
CID 45120360

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]?
The IUPAC name of 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane] (CID 134259073) is 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane].
What is the SMILES notation for 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]?
The canonical SMILES for 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane] is Cc1ccc(F)c2c1C1(CC2)OCCCO1.
What is the InChIKey of 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]?
The InChIKey is ZZPNGQICUDQCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-9-3-4-11(14)10-5-6-13(12(9)10)15-7-2-8-16-13/h3-4H,2,5-8H2,1H3.
What are the key properties of 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]?
7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane] has a molecular weight of 222.26 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane] is sourced from PubChem (CID 134259073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).