(7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol

C12H13FO3 — CID 69203846

IUPAC(7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol
SMILESOCc1cc(F)c2c(c1)C1(CC2)OCCO1
InChIInChI=1S/C12H13FO3/c13-11-6-8(7-14)5-10-9(11)1-2-12(10)15-3-4-16-12/h5-6,14H,1-4,7H2
InChIKeySZGIAGQMYDSCIS-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.46
Rot. Bonds1

About (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol

(7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol (PubChem CID 69203846) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol.

Molecular Properties

Compound Name(7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol
PubChem CID69203846
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name(7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol
SMILESOCc1cc(F)c2c(c1)C1(CC2)OCCO1
InChIInChI=1S/C12H13FO3/c13-11-6-8(7-14)5-10-9(11)1-2-12(10)15-3-4-16-12/h5-6,14H,1-4,7H2
InChIKeySZGIAGQMYDSCIS-UHFFFAOYSA-N
XLogP1.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 135001335
7-Fluoro-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 135001339
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
(1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol
CID 67814069
4-(2,2-Difluoro-1-methoxy-ethyl)-indan-1-ol
CID 67815244
(1S)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol
CID 67815266
[(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
[(3R,4'S,6'S)-4'-butoxy-6'-(butoxymethyl)-6-fluorospiro[1H-2-benzofuran-3,2'-oxane]-5-yl]methanol
CID 71018032

Frequently Asked Questions

What is the IUPAC name of (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol?
The IUPAC name of (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol (CID 69203846) is (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol.
What is the SMILES notation for (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol?
The canonical SMILES for (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol is OCc1cc(F)c2c(c1)C1(CC2)OCCO1.
What is the InChIKey of (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol?
The InChIKey is SZGIAGQMYDSCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-11-6-8(7-14)5-10-9(11)1-2-12(10)15-3-4-16-12/h5-6,14H,1-4,7H2.
What are the key properties of (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol?
(7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol has a molecular weight of 224.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)methanol is sourced from PubChem (CID 69203846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).