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

C10H16F3NO2 — CID 153044440

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16F3NO2/c1-14(6-10(11,12)13)8-4-2-7(3-5-8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyVGIFKONVVHLJOU-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.12
Rot. Bonds3

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

4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 153044440) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID153044440
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16F3NO2/c1-14(6-10(11,12)13)8-4-2-7(3-5-8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyVGIFKONVVHLJOU-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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Related Compounds

trans-4-(1-Pyrrolidinyl)cyclohexanecarboxylate hydrochloride
CID 68450221
4-(Dimethylamino)cyclohexane-1-carboxylic acid hydrochloride
CID 68452337
3-[(3R,4S)-4-(dimethylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 164637806
trans-4-(Dimethylamino)cyclohexanecarboxylic acid
CID 14876726
4-(3,3-Difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 121200815
2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
CID 121438663
Ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate
CID 146451196
4-(Dimethylamino)-3-fluorocyclohexane-1-carboxylic acid
CID 146451362
2-[(1S,3R,5R)-6,6-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 172058352
1-(4-Ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175853854
4-[Butyl(2-fluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 176663350
2-[Propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146901

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (CID 153044440) is 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is CN(CC(F)(F)F)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VGIFKONVVHLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(6-10(11,12)13)8-4-2-7(3-5-8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
4-[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 4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 153044440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).