3-cyclohexyl-5-fluorobenzoic acid

C13H15FO2 — CID 83382352

IUPAC3-cyclohexyl-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)cc(C2CCCCC2)c1
InChIInChI=1S/C13H15FO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKeyNPZISPIAEJLWFK-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.57
Rot. Bonds2

About 3-cyclohexyl-5-fluorobenzoic acid

3-cyclohexyl-5-fluorobenzoic acid (PubChem CID 83382352) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-cyclohexyl-5-fluorobenzoic acid.

Molecular Properties

Compound Name3-cyclohexyl-5-fluorobenzoic acid
PubChem CID83382352
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name3-cyclohexyl-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)cc(C2CCCCC2)c1
InChIInChI=1S/C13H15FO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKeyNPZISPIAEJLWFK-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-fluorobenzoic acid?
The IUPAC name of 3-cyclohexyl-5-fluorobenzoic acid (CID 83382352) is 3-cyclohexyl-5-fluorobenzoic acid.
What is the SMILES notation for 3-cyclohexyl-5-fluorobenzoic acid?
The canonical SMILES for 3-cyclohexyl-5-fluorobenzoic acid is O=C(O)c1cc(F)cc(C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-5-fluorobenzoic acid?
The InChIKey is NPZISPIAEJLWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16).
What are the key properties of 3-cyclohexyl-5-fluorobenzoic acid?
3-cyclohexyl-5-fluorobenzoic acid has a molecular weight of 222.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-fluorobenzoic acid is sourced from PubChem (CID 83382352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).