1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid

C9H14F3NO3 — CID 79648752

IUPAC1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO3/c1-13-8(7(14)15)3-2-6(4-8)16-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyFRNPWEUYWBDEPP-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.16
Rot. Bonds4

About 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid

1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid (PubChem CID 79648752) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
PubChem CID79648752
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO3/c1-13-8(7(14)15)3-2-6(4-8)16-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyFRNPWEUYWBDEPP-UHFFFAOYSA-N
XLogP1.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid (CID 79648752) is 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is FRNPWEUYWBDEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-13-8(7(14)15)3-2-6(4-8)16-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).