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

C13H22F3NO2 — CID 55146895

IUPAC4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N(CC)CC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-3-9-5-6-10(12(18)19)11(7-9)17(4-2)8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyBHNWMADSTFILFO-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.15
Rot. Bonds5

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

4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55146895) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID55146895
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N(CC)CC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-3-9-5-6-10(12(18)19)11(7-9)17(4-2)8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyBHNWMADSTFILFO-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (CID 55146895) is 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(N(CC)CC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BHNWMADSTFILFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-3-9-5-6-10(12(18)19)11(7-9)17(4-2)8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55146895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).