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

C13H20F3NO3 — CID 60890411

IUPAC2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H20F3NO3/c1-17(9-13(14,15)16)10(18)7-12(8-11(19)20)5-3-2-4-6-12/h2-9H2,1H3,(H,19,20)
InChIKeyFEWLPHXFLADGEM-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.82
Rot. Bonds5

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

2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 60890411) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID60890411
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H20F3NO3/c1-17(9-13(14,15)16)10(18)7-12(8-11(19)20)5-3-2-4-6-12/h2-9H2,1H3,(H,19,20)
InChIKeyFEWLPHXFLADGEM-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 60890411) is 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is CN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is FEWLPHXFLADGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-17(9-13(14,15)16)10(18)7-12(8-11(19)20)5-3-2-4-6-12/h2-9H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 60890411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).