4-(3-fluorophenoxy)cyclohexan-1-one

C12H13FO2 — CID 83702247

IUPAC4-(3-fluorophenoxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C12H13FO2/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-3,8,11H,4-7H2
InChIKeyHFAZIXQYHOWQNX-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.72
Rot. Bonds2

About 4-(3-fluorophenoxy)cyclohexan-1-one

4-(3-fluorophenoxy)cyclohexan-1-one (PubChem CID 83702247) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-fluorophenoxy)cyclohexan-1-one
PubChem CID83702247
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name4-(3-fluorophenoxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C12H13FO2/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-3,8,11H,4-7H2
InChIKeyHFAZIXQYHOWQNX-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
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4-(4-methoxyphenoxy)cyclohexan-1-one
CID 22467175
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
4-(4-hydroxyphenoxy)cyclohexan-1-one
CID 18359489
3-(3-ethoxyphenoxy)cyclopentan-1-one
CID 79643582
4-(4-amino-2-fluorophenoxy)cyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)cyclohexan-1-one?
The IUPAC name of 4-(3-fluorophenoxy)cyclohexan-1-one (CID 83702247) is 4-(3-fluorophenoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(3-fluorophenoxy)cyclohexan-1-one?
The canonical SMILES for 4-(3-fluorophenoxy)cyclohexan-1-one is O=C1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)cyclohexan-1-one?
The InChIKey is HFAZIXQYHOWQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-3,8,11H,4-7H2.
What are the key properties of 4-(3-fluorophenoxy)cyclohexan-1-one?
4-(3-fluorophenoxy)cyclohexan-1-one has a molecular weight of 208.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)cyclohexan-1-one is sourced from PubChem (CID 83702247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).