cyclohexyl 2,5-difluorobenzoate

C13H14F2O2 — CID 91717369

IUPACcyclohexyl 2,5-difluorobenzoate
SMILESO=C(OC1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2O2/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyNBIGHVXKIHZSDM-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.45
Rot. Bonds2

About cyclohexyl 2,5-difluorobenzoate

cyclohexyl 2,5-difluorobenzoate (PubChem CID 91717369) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is cyclohexyl 2,5-difluorobenzoate.

Molecular Properties

Compound Namecyclohexyl 2,5-difluorobenzoate
PubChem CID91717369
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namecyclohexyl 2,5-difluorobenzoate
SMILESO=C(OC1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2O2/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyNBIGHVXKIHZSDM-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

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Related Compounds

Benzyl Benzoate
CID 2345
Methyl Benzoate
CID 7150
Dicyclohexyl phthalate
CID 6777
Dimethyl terephthalate
CID 8441
Butyl Benzoate
CID 8698
Hexyl benzoate
CID 23235
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Benzyl phenylacetate
CID 60999

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2,5-difluorobenzoate?
The IUPAC name of cyclohexyl 2,5-difluorobenzoate (CID 91717369) is cyclohexyl 2,5-difluorobenzoate.
What is the SMILES notation for cyclohexyl 2,5-difluorobenzoate?
The canonical SMILES for cyclohexyl 2,5-difluorobenzoate is O=C(OC1CCCCC1)c1cc(F)ccc1F.
What is the InChIKey of cyclohexyl 2,5-difluorobenzoate?
The InChIKey is NBIGHVXKIHZSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of cyclohexyl 2,5-difluorobenzoate?
cyclohexyl 2,5-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 2,5-difluorobenzoate is sourced from PubChem (CID 91717369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).