7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene

C12H15FO2 — CID 134259072

IUPAC7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
SMILESCOC1(OC)CCc2c(F)ccc(C)c21
InChIInChI=1S/C12H15FO2/c1-8-4-5-10(13)9-6-7-12(14-2,15-3)11(8)9/h4-5H,6-7H2,1-3H3
InChIKeyGFFXBJXSLQOGAU-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.53
Rot. Bonds2

About 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene

7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene (PubChem CID 134259072) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene.

Molecular Properties

Compound Name7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
PubChem CID134259072
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
SMILESCOC1(OC)CCc2c(F)ccc(C)c21
InChIInChI=1S/C12H15FO2/c1-8-4-5-10(13)9-6-7-12(14-2,15-3)11(8)9/h4-5H,6-7H2,1-3H3
InChIKeyGFFXBJXSLQOGAU-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methoxyindane
CID 70506
(1R,2S)-2-Fluoro-1-methoxy-1-phenyl-indan
CID 10977615
1-Indanyl acetate
CID 233153
(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene
CID 16759045
(2R,3R)-2-fluoro-3-methoxy-3-phenyl-1,2-dihydroindene
CID 10999187
1-(1,1-Dimethoxyethyl)-4-fluorobenzene
CID 51040578
1,4-Dimethylindanyl acetate
CID 590282
9,9-Dimethoxyfluorene
CID 11521453
1-methoxy-3-methyl-2,3-dihydro-1H-indene
CID 85761380
1-(1,1-Dimethoxypropyl)-4-fluorobenzene
CID 15749461
1-methoxy-2-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 178336693
(r)-Indanyl acetate
CID 11008452

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene?
The IUPAC name of 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene (CID 134259072) is 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene.
What is the SMILES notation for 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene?
The canonical SMILES for 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene is COC1(OC)CCc2c(F)ccc(C)c21.
What is the InChIKey of 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene?
The InChIKey is GFFXBJXSLQOGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-8-4-5-10(13)9-6-7-12(14-2,15-3)11(8)9/h4-5H,6-7H2,1-3H3.
What are the key properties of 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene?
7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene has a molecular weight of 210.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene is sourced from PubChem (CID 134259072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).