6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene

C11H13F — CID 138553425

IUPAC6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene
SMILESC=C1CCC2=C1CCC(F)=C2C
InChIInChI=1S/C11H13F/c1-7-3-4-10-8(2)11(12)6-5-9(7)10/h1,3-6H2,2H3
InChIKeyAGXNCQZPAUMTHH-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.67
Rot. Bonds

About 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene

6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene (PubChem CID 138553425) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene.

Molecular Properties

Compound Name6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene
PubChem CID138553425
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene
SMILESC=C1CCC2=C1CCC(F)=C2C
InChIInChI=1S/C11H13F/c1-7-3-4-10-8(2)11(12)6-5-9(7)10/h1,3-6H2,2H3
InChIKeyAGXNCQZPAUMTHH-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene?
The IUPAC name of 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene (CID 138553425) is 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene.
What is the SMILES notation for 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene?
The canonical SMILES for 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene is C=C1CCC2=C1CCC(F)=C2C.
What is the InChIKey of 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene?
The InChIKey is AGXNCQZPAUMTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-7-3-4-10-8(2)11(12)6-5-9(7)10/h1,3-6H2,2H3.
What are the key properties of 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene?
6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene has a molecular weight of 164.22 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene is sourced from PubChem (CID 138553425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).