cyclohexyl 2-fluoro-5-methylbenzoate

C14H17FO2 — CID 62947219

IUPACcyclohexyl 2-fluoro-5-methylbenzoate
SMILESCc1ccc(F)c(C(=O)OC2CCCCC2)c1
InChIInChI=1S/C14H17FO2/c1-10-7-8-13(15)12(9-10)14(16)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyHSAXPAHNGFXHFW-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.62
Rot. Bonds2

About cyclohexyl 2-fluoro-5-methylbenzoate

cyclohexyl 2-fluoro-5-methylbenzoate (PubChem CID 62947219) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is cyclohexyl 2-fluoro-5-methylbenzoate.

Molecular Properties

Compound Namecyclohexyl 2-fluoro-5-methylbenzoate
PubChem CID62947219
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Namecyclohexyl 2-fluoro-5-methylbenzoate
SMILESCc1ccc(F)c(C(=O)OC2CCCCC2)c1
InChIInChI=1S/C14H17FO2/c1-10-7-8-13(15)12(9-10)14(16)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyHSAXPAHNGFXHFW-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-fluoro-5-methylbenzoate?
The IUPAC name of cyclohexyl 2-fluoro-5-methylbenzoate (CID 62947219) is cyclohexyl 2-fluoro-5-methylbenzoate.
What is the SMILES notation for cyclohexyl 2-fluoro-5-methylbenzoate?
The canonical SMILES for cyclohexyl 2-fluoro-5-methylbenzoate is Cc1ccc(F)c(C(=O)OC2CCCCC2)c1.
What is the InChIKey of cyclohexyl 2-fluoro-5-methylbenzoate?
The InChIKey is HSAXPAHNGFXHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-10-7-8-13(15)12(9-10)14(16)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of cyclohexyl 2-fluoro-5-methylbenzoate?
cyclohexyl 2-fluoro-5-methylbenzoate has a molecular weight of 236.29 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-fluoro-5-methylbenzoate is sourced from PubChem (CID 62947219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).