2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone

C11H10ClFO2 — CID 71533795

IUPAC2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone
SMILESO=C(CCl)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H10ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,11H,1,3,6H2/t11-/m1/s1
InChIKeyJOIVVMUMDLHKRF-LLVKDONJSA-N
MW228.65 g/mol
LogP2.33
Rot. Bonds2

About 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone

2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone (PubChem CID 71533795) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone
PubChem CID71533795
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Name2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone
SMILESO=C(CCl)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H10ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,11H,1,3,6H2/t11-/m1/s1
InChIKeyJOIVVMUMDLHKRF-LLVKDONJSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone (CID 71533795) is 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone is O=C(CCl)[C@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone?
The InChIKey is JOIVVMUMDLHKRF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,11H,1,3,6H2/t11-/m1/s1.
What are the key properties of 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone?
2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone has a molecular weight of 228.65 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone is sourced from PubChem (CID 71533795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).