2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one

C11H10ClFO2S — CID 115477455

IUPAC2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one
SMILESO=C1CCCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFO2S/c12-8-6-7(4-5-9(8)13)16(15)11-3-1-2-10(11)14/h4-6,11H,1-3H2
InChIKeyLYEZIYSBZSFSBK-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.71
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one

2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one (PubChem CID 115477455) has the molecular formula C11H10ClFO2S and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one
PubChem CID115477455
Molecular FormulaC11H10ClFO2S
Molecular Weight260.72 g/mol
Exact Mass260.01
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one
SMILESO=C1CCCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFO2S/c12-8-6-7(4-5-9(8)13)16(15)11-3-1-2-10(11)14/h4-6,11H,1-3H2
InChIKeyLYEZIYSBZSFSBK-UHFFFAOYSA-N
XLogP2.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one (CID 115477455) is 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one is O=C1CCCC1S(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one?
The InChIKey is LYEZIYSBZSFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO2S/c12-8-6-7(4-5-9(8)13)16(15)11-3-1-2-10(11)14/h4-6,11H,1-3H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one?
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one has a molecular weight of 260.72 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one is sourced from PubChem (CID 115477455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).