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

C10H16F3NO2 — CID 63067099

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C1CCCCC1C(=O)O
InChIInChI=1S/C10H16F3NO2/c1-14(6-10(11,12)13)8-5-3-2-4-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyIJZQYDXDFDQSAX-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.12
Rot. Bonds3

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

2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63067099) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63067099
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C1CCCCC1C(=O)O
InChIInChI=1S/C10H16F3NO2/c1-14(6-10(11,12)13)8-5-3-2-4-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyIJZQYDXDFDQSAX-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (CID 63067099) is 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is CN(CC(F)(F)F)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IJZQYDXDFDQSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(6-10(11,12)13)8-5-3-2-4-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 239.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63067099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).