trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C14H16F3NO3 — CID 155007576

IUPACtrans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCc1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C(F)(F)F)n1
InChIInChI=1S/C14H16F3NO3/c1-8-5-6-11(12(18-8)14(15,16)17)21-10-4-2-3-9(7-10)13(19)20/h5-6,9-10H,2-4,7H2,1H3,(H,19,20)/t9-,10-/m0/s1
InChIKeyUYVSPXSSOMRGMT-UWVGGRQHSA-N
MW303.28 g/mol
LogP3.43
Rot. Bonds3

About trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid

trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 155007576) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID155007576
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Nametrans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCc1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C(F)(F)F)n1
InChIInChI=1S/C14H16F3NO3/c1-8-5-6-11(12(18-8)14(15,16)17)21-10-4-2-3-9(7-10)13(19)20/h5-6,9-10H,2-4,7H2,1H3,(H,19,20)/t9-,10-/m0/s1
InChIKeyUYVSPXSSOMRGMT-UWVGGRQHSA-N
XLogP3.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 155007576) is trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid is Cc1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C(F)(F)F)n1.
What is the InChIKey of trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The InChIKey is UYVSPXSSOMRGMT-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-8-5-6-11(12(18-8)14(15,16)17)21-10-4-2-3-9(7-10)13(19)20/h5-6,9-10H,2-4,7H2,1H3,(H,19,20)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 155007576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).