1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone

C11H10ClFO — CID 82284313

IUPAC1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2c(F)cccc2Cl)CC1
InChIInChI=1S/C11H10ClFO/c1-7(14)11(5-6-11)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3
InChIKeyANJYXQYHNCKARJ-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.10
Rot. Bonds2

About 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone

1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone (PubChem CID 82284313) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
PubChem CID82284313
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2c(F)cccc2Cl)CC1
InChIInChI=1S/C11H10ClFO/c1-7(14)11(5-6-11)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3
InChIKeyANJYXQYHNCKARJ-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone (CID 82284313) is 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone is CC(=O)C1(c2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone?
The InChIKey is ANJYXQYHNCKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c1-7(14)11(5-6-11)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone?
1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone has a molecular weight of 212.65 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 82284313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).