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

C12H20F3NO2 — CID 63067435

IUPAC4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-3-8-4-5-9(11(17)18)10(6-8)16(2)7-12(13,14)15/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyVBRXATDQVXQQGN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.76
Rot. Bonds4

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

4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63067435) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63067435
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-3-8-4-5-9(11(17)18)10(6-8)16(2)7-12(13,14)15/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyVBRXATDQVXQQGN-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (CID 63067435) is 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(N(C)CC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VBRXATDQVXQQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-3-8-4-5-9(11(17)18)10(6-8)16(2)7-12(13,14)15/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63067435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).