4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one

C14H17FO2 — CID 58923579

IUPAC4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCOc2ccccc2F)CC1
InChIInChI=1S/C14H17FO2/c15-13-3-1-2-4-14(13)17-10-9-11-5-7-12(16)8-6-11/h1-4,11H,5-10H2
InChIKeyJGEYHNLMAGTYBF-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.35
Rot. Bonds4

About 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one

4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one (PubChem CID 58923579) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one
PubChem CID58923579
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCOc2ccccc2F)CC1
InChIInChI=1S/C14H17FO2/c15-13-3-1-2-4-14(13)17-10-9-11-5-7-12(16)8-6-11/h1-4,11H,5-10H2
InChIKeyJGEYHNLMAGTYBF-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one (CID 58923579) is 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one is O=C1CCC(CCOc2ccccc2F)CC1.
What is the InChIKey of 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one?
The InChIKey is JGEYHNLMAGTYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-13-3-1-2-4-14(13)17-10-9-11-5-7-12(16)8-6-11/h1-4,11H,5-10H2.
What are the key properties of 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one?
4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one has a molecular weight of 236.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)ethyl]cyclohexan-1-one is sourced from PubChem (CID 58923579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).