2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene

C12H11F3 — CID 163265513

IUPAC2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene
SMILESC=CCC1c2cc(F)ccc2CC1(F)F
InChIInChI=1S/C12H11F3/c1-2-3-11-10-6-9(13)5-4-8(10)7-12(11,14)15/h2,4-6,11H,1,3,7H2
InChIKeyLNXJBNGBRSZTSF-UHFFFAOYSA-N
MW212.21 g/mol
LogP3.68
Rot. Bonds2

About 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene

2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene (PubChem CID 163265513) has the molecular formula C12H11F3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene.

Molecular Properties

Compound Name2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene
PubChem CID163265513
Molecular FormulaC12H11F3
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene
SMILESC=CCC1c2cc(F)ccc2CC1(F)F
InChIInChI=1S/C12H11F3/c1-2-3-11-10-6-9(13)5-4-8(10)7-12(11,14)15/h2,4-6,11H,1,3,7H2
InChIKeyLNXJBNGBRSZTSF-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Fluorene
CID 6853
Indane
CID 10326
9-Methylfluorene
CID 17299
1,1,2,3,3-Pentamethylindan
CID 14549
1-Methylindene
CID 13024
1,9-Dimethylfluorene
CID 28227
1-n-Hexadecylindan
CID 266426
2-Methyl indane
CID 13213
1-Ethylindane
CID 20971
1-Methyl-3-phenylindane
CID 22924
9-Methylene-9H-fluorene
CID 78147
Fluorene-D10
CID 6913203

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene?
The IUPAC name of 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene (CID 163265513) is 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene.
What is the SMILES notation for 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene?
The canonical SMILES for 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene is C=CCC1c2cc(F)ccc2CC1(F)F.
What is the InChIKey of 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene?
The InChIKey is LNXJBNGBRSZTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3/c1-2-3-11-10-6-9(13)5-4-8(10)7-12(11,14)15/h2,4-6,11H,1,3,7H2.
What are the key properties of 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene?
2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene has a molecular weight of 212.21 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene is sourced from PubChem (CID 163265513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).