7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol

C12H13FO3 — CID 135001339

IUPAC7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
SMILESCc1ccc2c(c1F)C(O)CC21OCCO1
InChIInChI=1S/C12H13FO3/c1-7-2-3-8-10(11(7)13)9(14)6-12(8)15-4-5-16-12/h2-3,9,14H,4-6H2,1H3
InChIKeyLPMLJYPAFPPHKQ-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.77
Rot. Bonds

About 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol

7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol (PubChem CID 135001339) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol.

Molecular Properties

Compound Name7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
PubChem CID135001339
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
SMILESCc1ccc2c(c1F)C(O)CC21OCCO1
InChIInChI=1S/C12H13FO3/c1-7-2-3-8-10(11(7)13)9(14)6-12(8)15-4-5-16-12/h2-3,9,14H,4-6H2,1H3
InChIKeyLPMLJYPAFPPHKQ-UHFFFAOYSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol with MolForge

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Related Compounds

5-Fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 135001335
6-Fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 135001373
7-Fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 135056571
Spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 11106195
5,6-Difluoro-7-methoxymethylindan-1-ol
CID 58950939
[(3S,3'R,4'S,5'R,6'R)-3',4',5'-tributoxy-6'-(butoxymethyl)-6-fluorospiro[1H-2-benzofuran-3,2'-oxane]-5-yl]methanol
CID 68077620
1-[(3S,3'R,4'S,5'R,6'R)-3',4',5'-tributoxy-6'-(butoxymethyl)-6-fluorospiro[1H-2-benzofuran-3,2'-oxane]-5-yl]ethanol
CID 68078060
(6'-Fluorospiro[1,3-dioxolane-2,1'-2,3-dihydroindene]-5'-yl)methanol
CID 69201773
(7-Fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol
CID 69203846
[(3R,4'S,6'S)-4'-butoxy-6'-(butoxymethyl)-6-fluorospiro[1H-2-benzofuran-3,2'-oxane]-5-yl]methanol
CID 71018032
7-Fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane]
CID 134259073
7-Fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 134259074

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol?
The IUPAC name of 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol (CID 135001339) is 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol.
What is the SMILES notation for 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol?
The canonical SMILES for 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol is Cc1ccc2c(c1F)C(O)CC21OCCO1.
What is the InChIKey of 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol?
The InChIKey is LPMLJYPAFPPHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-7-2-3-8-10(11(7)13)9(14)6-12(8)15-4-5-16-12/h2-3,9,14H,4-6H2,1H3.
What are the key properties of 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol?
7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol has a molecular weight of 224.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol is sourced from PubChem (CID 135001339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).