10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid

C18H27F3N2O2 — CID 150468956

IUPAC10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid
SMILESCN(C)c1nccc(C(F)(F)F)c1CCCCCCCCCC(=O)O
InChIInChI=1S/C18H27F3N2O2/c1-23(2)17-14(15(12-13-22-17)18(19,20)21)10-8-6-4-3-5-7-9-11-16(24)25/h12-13H,3-11H2,1-2H3,(H,24,25)
InChIKeyHRJRGLHIVXWEHK-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.91
Rot. Bonds11

About 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid

10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid (PubChem CID 150468956) has the molecular formula C18H27F3N2O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid.

Molecular Properties

Compound Name10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid
PubChem CID150468956
Molecular FormulaC18H27F3N2O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC Name10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid
SMILESCN(C)c1nccc(C(F)(F)F)c1CCCCCCCCCC(=O)O
InChIInChI=1S/C18H27F3N2O2/c1-23(2)17-14(15(12-13-22-17)18(19,20)21)10-8-6-4-3-5-7-9-11-16(24)25/h12-13H,3-11H2,1-2H3,(H,24,25)
InChIKeyHRJRGLHIVXWEHK-UHFFFAOYSA-N
XLogP4.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.91
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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Related Compounds

10-[2-(trifluoromethyl)pyrimidin-4-yl]decanoic acid
CID 151312840
4-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108472
4-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]butanoic acid
CID 117471835
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
dodecanedioic acid;1,4-xylene
CID 66586315
8-(7-methyl-1,10-phenanthrolin-4-yl)octanoic acid
CID 121355497
18-[2-(18-amino-18-oxooctadecyl)-3,6-dimethylphenyl]octadecanoic acid
CID 69051285
9-[3-tert-butyl-2-(8-carboxyoctyl)phenyl]nonanoic acid
CID 151072261
10-(4-methylphenyl)decanoic acid
CID 54262490
6-pyridin-4-ylhexanoic acid
CID 12904562
1-[3-(benzylamino)-4-(trifluoromethyl)-2-pyridinyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
CID 70597800
4-(17-carboxyheptadecyl)-3-methylbenzoic acid
CID 54333314

Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid?
The IUPAC name of 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid (CID 150468956) is 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid.
What is the SMILES notation for 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid?
The canonical SMILES for 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid is CN(C)c1nccc(C(F)(F)F)c1CCCCCCCCCC(=O)O.
What is the InChIKey of 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid?
The InChIKey is HRJRGLHIVXWEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O2/c1-23(2)17-14(15(12-13-22-17)18(19,20)21)10-8-6-4-3-5-7-9-11-16(24)25/h12-13H,3-11H2,1-2H3,(H,24,25).
What are the key properties of 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid?
10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid has a molecular weight of 360.42 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]decanoic acid is sourced from PubChem (CID 150468956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).