(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid

C15H18F3NO3 — CID 175716062

IUPAC(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid
SMILESC[C@@H](C(=O)O)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO3/c1-9(14(20)21)10-2-4-11(5-3-10)22-12-6-7-19-13(8-12)15(16,17)18/h6-11H,2-5H2,1H3,(H,20,21)/t9-,10?,11?/m1/s1
InChIKeyGRMBTZHMQJKOFB-KPPDAEKUSA-N
MW317.31 g/mol
LogP3.76
Rot. Bonds4

About (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid

(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid (PubChem CID 175716062) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid
PubChem CID175716062
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid
SMILESC[C@@H](C(=O)O)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO3/c1-9(14(20)21)10-2-4-11(5-3-10)22-12-6-7-19-13(8-12)15(16,17)18/h6-11H,2-5H2,1H3,(H,20,21)/t9-,10?,11?/m1/s1
InChIKeyGRMBTZHMQJKOFB-KPPDAEKUSA-N
XLogP3.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid?
The IUPAC name of (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid (CID 175716062) is (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid?
The canonical SMILES for (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid is C[C@@H](C(=O)O)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid?
The InChIKey is GRMBTZHMQJKOFB-KPPDAEKUSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-9(14(20)21)10-2-4-11(5-3-10)22-12-6-7-19-13(8-12)15(16,17)18/h6-11H,2-5H2,1H3,(H,20,21)/t9-,10?,11?/m1/s1.
What are the key properties of (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid?
(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid has a molecular weight of 317.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid is sourced from PubChem (CID 175716062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).