2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone

C14H16ClFO — CID 114853673

IUPAC2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C14H16ClFO/c15-12-7-6-11(13(16)9-12)8-14(17)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyRILHOHCFSFDHGQ-UHFFFAOYSA-N
MW254.73 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone

2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone (PubChem CID 114853673) has the molecular formula C14H16ClFO and a molecular weight of 254.73 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
PubChem CID114853673
Molecular FormulaC14H16ClFO
Molecular Weight254.73 g/mol
Exact Mass254.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C14H16ClFO/c15-12-7-6-11(13(16)9-12)8-14(17)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyRILHOHCFSFDHGQ-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone (CID 114853673) is 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone is O=C(Cc1ccc(Cl)cc1F)C1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone?
The InChIKey is RILHOHCFSFDHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO/c15-12-7-6-11(13(16)9-12)8-14(17)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone?
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone has a molecular weight of 254.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone is sourced from PubChem (CID 114853673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).