4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid

C15H26F3NO2 — CID 63068481

IUPAC4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(CCC)CC(F)(F)F)C1
InChIInChI=1S/C15H26F3NO2/c1-3-5-11-6-7-12(14(20)21)13(9-11)19(8-4-2)10-15(16,17)18/h11-13H,3-10H2,1-2H3,(H,20,21)
InChIKeyGHNYOUFNRWEEPB-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.93
Rot. Bonds7

About 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid

4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63068481) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63068481
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(CCC)CC(F)(F)F)C1
InChIInChI=1S/C15H26F3NO2/c1-3-5-11-6-7-12(14(20)21)13(9-11)19(8-4-2)10-15(16,17)18/h11-13H,3-10H2,1-2H3,(H,20,21)
InChIKeyGHNYOUFNRWEEPB-UHFFFAOYSA-N
XLogP3.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (CID 63068481) is 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N(CCC)CC(F)(F)F)C1.
What is the InChIKey of 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GHNYOUFNRWEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-3-5-11-6-7-12(14(20)21)13(9-11)19(8-4-2)10-15(16,17)18/h11-13H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).