cyclohexyl 2,4-difluorobenzoate

C13H14F2O2 — CID 52555456

IUPACcyclohexyl 2,4-difluorobenzoate
SMILESO=C(OC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2O2/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyWKFAPFGSDWYJHF-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.45
Rot. Bonds2

About cyclohexyl 2,4-difluorobenzoate

cyclohexyl 2,4-difluorobenzoate (PubChem CID 52555456) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is cyclohexyl 2,4-difluorobenzoate.

Molecular Properties

Compound Namecyclohexyl 2,4-difluorobenzoate
PubChem CID52555456
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namecyclohexyl 2,4-difluorobenzoate
SMILESO=C(OC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2O2/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyWKFAPFGSDWYJHF-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohexyl 2,4-difluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2,4-difluorobenzoate?
The IUPAC name of cyclohexyl 2,4-difluorobenzoate (CID 52555456) is cyclohexyl 2,4-difluorobenzoate.
What is the SMILES notation for cyclohexyl 2,4-difluorobenzoate?
The canonical SMILES for cyclohexyl 2,4-difluorobenzoate is O=C(OC1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of cyclohexyl 2,4-difluorobenzoate?
The InChIKey is WKFAPFGSDWYJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of cyclohexyl 2,4-difluorobenzoate?
cyclohexyl 2,4-difluorobenzoate has a molecular weight of 240.25 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2,4-difluorobenzoate is sourced from PubChem (CID 52555456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).