3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene

C11H13FO — CID 84718384

IUPAC3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
SMILESCOc1cccc2c1C(C)(F)CC2
InChIInChI=1S/C11H13FO/c1-11(12)7-6-8-4-3-5-9(13-2)10(8)11/h3-5H,6-7H2,1-2H3
InChIKeyJGMDSUYPKATVPV-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.83
Rot. Bonds1

About 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene

3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene (PubChem CID 84718384) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene.

Molecular Properties

Compound Name3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
PubChem CID84718384
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
SMILESCOc1cccc2c1C(C)(F)CC2
InChIInChI=1S/C11H13FO/c1-11(12)7-6-8-4-3-5-9(13-2)10(8)11/h3-5H,6-7H2,1-2H3
InChIKeyJGMDSUYPKATVPV-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene?
The IUPAC name of 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene (CID 84718384) is 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene.
What is the SMILES notation for 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene?
The canonical SMILES for 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene is COc1cccc2c1C(C)(F)CC2.
What is the InChIKey of 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene?
The InChIKey is JGMDSUYPKATVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-11(12)7-6-8-4-3-5-9(13-2)10(8)11/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene?
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene has a molecular weight of 180.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene is sourced from PubChem (CID 84718384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).