2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride

C12H10ClFO — CID 12051709

IUPAC2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride
SMILESCC1=C(CC(=O)Cl)c2cc(F)ccc2C1
InChIInChI=1S/C12H10ClFO/c1-7-4-8-2-3-9(14)5-11(8)10(7)6-12(13)15/h2-3,5H,4,6H2,1H3
InChIKeyKLJNWJGRMCQHOF-UHFFFAOYSA-N
MW224.66 g/mol
LogP3.31
Rot. Bonds2

About 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride

2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride (PubChem CID 12051709) has the molecular formula C12H10ClFO and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride
PubChem CID12051709
Molecular FormulaC12H10ClFO
Molecular Weight224.66 g/mol
Exact Mass224.04
IUPAC Name2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride
SMILESCC1=C(CC(=O)Cl)c2cc(F)ccc2C1
InChIInChI=1S/C12H10ClFO/c1-7-4-8-2-3-9(14)5-11(8)10(7)6-12(13)15/h2-3,5H,4,6H2,1H3
InChIKeyKLJNWJGRMCQHOF-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride?
The IUPAC name of 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride (CID 12051709) is 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride.
What is the SMILES notation for 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride?
The canonical SMILES for 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride is CC1=C(CC(=O)Cl)c2cc(F)ccc2C1.
What is the InChIKey of 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride?
The InChIKey is KLJNWJGRMCQHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO/c1-7-4-8-2-3-9(14)5-11(8)10(7)6-12(13)15/h2-3,5H,4,6H2,1H3.
What are the key properties of 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride?
2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride has a molecular weight of 224.66 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride is sourced from PubChem (CID 12051709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).