10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid

C15H21F3N2O2 — CID 151312840

IUPAC10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid
SMILESO=C(O)CCCCCCCCCc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N2O2/c16-15(17,18)14-19-11-10-12(20-14)8-6-4-2-1-3-5-7-9-13(21)22/h10-11H,1-9H2,(H,21,22)
InChIKeyOEUFYPFNHMYHDE-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.24
Rot. Bonds10

About 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid

10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid (PubChem CID 151312840) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid.

Molecular Properties

Compound Name10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid
PubChem CID151312840
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid
SMILESO=C(O)CCCCCCCCCc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N2O2/c16-15(17,18)14-19-11-10-12(20-14)8-6-4-2-1-3-5-7-9-13(21)22/h10-11H,1-9H2,(H,21,22)
InChIKeyOEUFYPFNHMYHDE-UHFFFAOYSA-N
XLogP4.24
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid?
The IUPAC name of 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid (CID 151312840) is 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid.
What is the SMILES notation for 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid?
The canonical SMILES for 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid is O=C(O)CCCCCCCCCc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid?
The InChIKey is OEUFYPFNHMYHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c16-15(17,18)14-19-11-10-12(20-14)8-6-4-2-1-3-5-7-9-13(21)22/h10-11H,1-9H2,(H,21,22).
What are the key properties of 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid?
10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid has a molecular weight of 318.34 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid is sourced from PubChem (CID 151312840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).