2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid

C11H18F3NO2 — CID 64755173

IUPAC2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C)C(NCC(F)(F)F)(C(=O)O)C1
InChIInChI=1S/C11H18F3NO2/c1-7-3-4-8(2)10(5-7,9(16)17)15-6-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeySGKQDRMWEZBOIJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.42
Rot. Bonds3

About 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid

2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid (PubChem CID 64755173) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid
PubChem CID64755173
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C)C(NCC(F)(F)F)(C(=O)O)C1
InChIInChI=1S/C11H18F3NO2/c1-7-3-4-8(2)10(5-7,9(16)17)15-6-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeySGKQDRMWEZBOIJ-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid (CID 64755173) is 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid is CC1CCC(C)C(NCC(F)(F)F)(C(=O)O)C1.
What is the InChIKey of 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SGKQDRMWEZBOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-7-3-4-8(2)10(5-7,9(16)17)15-6-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid?
2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64755173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).