2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid

C15H17F3O3 — CID 11573030

IUPAC2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1C1CCCCC1
InChIInChI=1S/C15H17F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20)
InChIKeyVMOIZOKNWWJLCU-UHFFFAOYSA-N
MW302.29 g/mol
LogP4.22
Rot. Bonds4

About 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid

2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 11573030) has the molecular formula C15H17F3O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID11573030
Molecular FormulaC15H17F3O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1C1CCCCC1
InChIInChI=1S/C15H17F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20)
InChIKeyVMOIZOKNWWJLCU-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid (CID 11573030) is 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid is O=C(O)COc1ccc(C(F)(F)F)cc1C1CCCCC1.
What is the InChIKey of 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is VMOIZOKNWWJLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20).
What are the key properties of 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 302.29 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 11573030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).