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

C9H14F3NO2 — CID 114987568

IUPAC1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C1(C(=O)O)CCCC1
InChIInChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)8(7(14)15)4-2-3-5-8/h2-6H2,1H3,(H,14,15)
InChIKeyWSQIVZMYWLVMEC-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.88
Rot. Bonds3

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

1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114987568) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114987568
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C1(C(=O)O)CCCC1
InChIInChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)8(7(14)15)4-2-3-5-8/h2-6H2,1H3,(H,14,15)
InChIKeyWSQIVZMYWLVMEC-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid (CID 114987568) is 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid is CN(CC(F)(F)F)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WSQIVZMYWLVMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)8(7(14)15)4-2-3-5-8/h2-6H2,1H3,(H,14,15).
What are the key properties of 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 225.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114987568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).