3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid

C13H15FO3 — CID 83842692

IUPAC3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C13H15FO3/c14-10-4-2-6-12(8-10)17-11-5-1-3-9(7-11)13(15)16/h2,4,6,8-9,11H,1,3,5,7H2,(H,15,16)
InChIKeyQZCIZGIGYAKZCE-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.85
Rot. Bonds3

About 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid

3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid (PubChem CID 83842692) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
PubChem CID83842692
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C13H15FO3/c14-10-4-2-6-12(8-10)17-11-5-1-3-9(7-11)13(15)16/h2,4,6,8-9,11H,1,3,5,7H2,(H,15,16)
InChIKeyQZCIZGIGYAKZCE-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluorophenoxy)piperidine-2-carboxylic acid
CID 115043003
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262
1-fluoro-3-(3-methylcyclobutyl)oxybenzene
CID 142422559
4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid
CID 122029500
1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79635234
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783681
(3S)-3-[[6-[4-[[(3-fluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155153675
3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044439
cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid (CID 83842692) is 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(Oc2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid?
The InChIKey is QZCIZGIGYAKZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-10-4-2-6-12(8-10)17-11-5-1-3-9(7-11)13(15)16/h2,4,6,8-9,11H,1,3,5,7H2,(H,15,16).
What are the key properties of 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid?
3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83842692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).