cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone

C13H13Cl2FO — CID 146009541

IUPACcyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(F)c1Cl)C1CCCCC1
InChIInChI=1S/C13H13Cl2FO/c14-9-6-10(12(15)11(16)7-9)13(17)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJZTPPORPUSUETB-UHFFFAOYSA-N
MW275.15 g/mol
LogP4.90
Rot. Bonds2

About cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone

cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone (PubChem CID 146009541) has the molecular formula C13H13Cl2FO and a molecular weight of 275.15 g/mol. Its IUPAC name is cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone
PubChem CID146009541
Molecular FormulaC13H13Cl2FO
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Namecyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(F)c1Cl)C1CCCCC1
InChIInChI=1S/C13H13Cl2FO/c14-9-6-10(12(15)11(16)7-9)13(17)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJZTPPORPUSUETB-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone?
The IUPAC name of cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone (CID 146009541) is cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone.
What is the SMILES notation for cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone?
The canonical SMILES for cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone is O=C(c1cc(Cl)cc(F)c1Cl)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone?
The InChIKey is JZTPPORPUSUETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FO/c14-9-6-10(12(15)11(16)7-9)13(17)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone?
cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone has a molecular weight of 275.15 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone is sourced from PubChem (CID 146009541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).