2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid

C11H18F3NO2 — CID 65243196

IUPAC2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
SMILESCN(CC(F)(F)F)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)10(7-9(16)17)5-3-2-4-6-10/h2-8H2,1H3,(H,16,17)
InChIKeyQXFROGAYDAMBTR-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.66
Rot. Bonds4

About 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid (PubChem CID 65243196) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
PubChem CID65243196
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
SMILESCN(CC(F)(F)F)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)10(7-9(16)17)5-3-2-4-6-10/h2-8H2,1H3,(H,16,17)
InChIKeyQXFROGAYDAMBTR-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(Dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid
CID 59927994
6-Cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 59927995
6-[Bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid
CID 59927998
2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
CID 121438663
2-(4,4-Difluoroazepan-1-yl)-5,5-difluorocyclohexane-1-carboxylic acid
CID 178021098
2-[1-[(3-Methoxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 103034714
2-[(Dibutylamino)methyl]-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoic acid
CID 20831794
2-[Methyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
CID 55145942
4-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146720
4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146895
2-[Propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146901
1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271025

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid (CID 65243196) is 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid is CN(CC(F)(F)F)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid?
The InChIKey is QXFROGAYDAMBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)10(7-9(16)17)5-3-2-4-6-10/h2-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).