2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid

C16H19F3O3 — CID 117246043

IUPAC2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
SMILESO=C(O)C(COc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C16H19F3O3/c17-16(18,19)12-7-4-8-13(9-12)22-10-14(15(20)21)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6,10H2,(H,20,21)
InChIKeyPALSFHWALWLQCD-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.37
Rot. Bonds5

About 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid

2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid (PubChem CID 117246043) has the molecular formula C16H19F3O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
PubChem CID117246043
Molecular FormulaC16H19F3O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
SMILESO=C(O)C(COc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C16H19F3O3/c17-16(18,19)12-7-4-8-13(9-12)22-10-14(15(20)21)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6,10H2,(H,20,21)
InChIKeyPALSFHWALWLQCD-UHFFFAOYSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117245508
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane
CID 142194055
4-hydroxy-2-[[3-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117237021
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763
3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243219
5-[[3-(trifluoromethyl)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62298692
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033
(11Z,13E)-15-[[3-(trifluoromethyl)phenoxy]methyl]-1-oxacyclopentadeca-11,13-diene-2-carboxylic acid
CID 162602779

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The IUPAC name of 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid (CID 117246043) is 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid is O=C(O)C(COc1cccc(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The InChIKey is PALSFHWALWLQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O3/c17-16(18,19)12-7-4-8-13(9-12)22-10-14(15(20)21)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6,10H2,(H,20,21).
What are the key properties of 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid has a molecular weight of 316.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid is sourced from PubChem (CID 117246043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).