3-fluoro-1-methyl-2-phenyl-1H-indene

C16H13F — CID 86003078

IUPAC3-fluoro-1-methyl-2-phenyl-1H-indene
SMILESCC1C(c2ccccc2)=C(F)c2ccccc21
InChIInChI=1S/C16H13F/c1-11-13-9-5-6-10-14(13)16(17)15(11)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeySKNQOEMFBOTXMH-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.64
Rot. Bonds1

About 3-fluoro-1-methyl-2-phenyl-1H-indene

3-fluoro-1-methyl-2-phenyl-1H-indene (PubChem CID 86003078) has the molecular formula C16H13F and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-fluoro-1-methyl-2-phenyl-1H-indene.

Molecular Properties

Compound Name3-fluoro-1-methyl-2-phenyl-1H-indene
PubChem CID86003078
Molecular FormulaC16H13F
Molecular Weight224.28 g/mol
Exact Mass224.10
IUPAC Name3-fluoro-1-methyl-2-phenyl-1H-indene
SMILESCC1C(c2ccccc2)=C(F)c2ccccc21
InChIInChI=1S/C16H13F/c1-11-13-9-5-6-10-14(13)16(17)15(11)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeySKNQOEMFBOTXMH-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-2-phenyl-1H-indene?
The IUPAC name of 3-fluoro-1-methyl-2-phenyl-1H-indene (CID 86003078) is 3-fluoro-1-methyl-2-phenyl-1H-indene.
What is the SMILES notation for 3-fluoro-1-methyl-2-phenyl-1H-indene?
The canonical SMILES for 3-fluoro-1-methyl-2-phenyl-1H-indene is CC1C(c2ccccc2)=C(F)c2ccccc21.
What is the InChIKey of 3-fluoro-1-methyl-2-phenyl-1H-indene?
The InChIKey is SKNQOEMFBOTXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F/c1-11-13-9-5-6-10-14(13)16(17)15(11)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 3-fluoro-1-methyl-2-phenyl-1H-indene?
3-fluoro-1-methyl-2-phenyl-1H-indene has a molecular weight of 224.28 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-2-phenyl-1H-indene is sourced from PubChem (CID 86003078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).