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

C14H24F3NO2 — CID 63066946

IUPAC4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C14H24F3NO2/c1-4-10-5-6-11(13(19)20)12(7-10)18(9(2)3)8-14(15,16)17/h9-12H,4-8H2,1-3H3,(H,19,20)
InChIKeyVKYDZYHSNCRXLR-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.54
Rot. Bonds5

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

4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63066946) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63066946
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C14H24F3NO2/c1-4-10-5-6-11(13(19)20)12(7-10)18(9(2)3)8-14(15,16)17/h9-12H,4-8H2,1-3H3,(H,19,20)
InChIKeyVKYDZYHSNCRXLR-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (CID 63066946) is 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(N(CC(F)(F)F)C(C)C)C1.
What is the InChIKey of 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VKYDZYHSNCRXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-4-10-5-6-11(13(19)20)12(7-10)18(9(2)3)8-14(15,16)17/h9-12H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63066946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).