3-chloro-3-fluoro-1,2-dihydroindene

C9H8ClF — CID 13405902

IUPAC3-chloro-3-fluoro-1,2-dihydroindene
SMILESFC1(Cl)CCc2ccccc21
InChIInChI=1S/C9H8ClF/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKeyWQVNYJNLQUHPTD-UHFFFAOYSA-N
MW170.61 g/mol
LogP2.99
Rot. Bonds

About 3-chloro-3-fluoro-1,2-dihydroindene

3-chloro-3-fluoro-1,2-dihydroindene (PubChem CID 13405902) has the molecular formula C9H8ClF and a molecular weight of 170.61 g/mol. Its IUPAC name is 3-chloro-3-fluoro-1,2-dihydroindene.

Molecular Properties

Compound Name3-chloro-3-fluoro-1,2-dihydroindene
PubChem CID13405902
Molecular FormulaC9H8ClF
Molecular Weight170.61 g/mol
Exact Mass170.03
IUPAC Name3-chloro-3-fluoro-1,2-dihydroindene
SMILESFC1(Cl)CCc2ccccc21
InChIInChI=1S/C9H8ClF/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKeyWQVNYJNLQUHPTD-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-fluoro-1,2-dihydroindene?
The IUPAC name of 3-chloro-3-fluoro-1,2-dihydroindene (CID 13405902) is 3-chloro-3-fluoro-1,2-dihydroindene.
What is the SMILES notation for 3-chloro-3-fluoro-1,2-dihydroindene?
The canonical SMILES for 3-chloro-3-fluoro-1,2-dihydroindene is FC1(Cl)CCc2ccccc21.
What is the InChIKey of 3-chloro-3-fluoro-1,2-dihydroindene?
The InChIKey is WQVNYJNLQUHPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2.
What are the key properties of 3-chloro-3-fluoro-1,2-dihydroindene?
3-chloro-3-fluoro-1,2-dihydroindene has a molecular weight of 170.61 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-fluoro-1,2-dihydroindene is sourced from PubChem (CID 13405902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).