2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid

C12H19F3N2O2 — CID 63075113

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-4-6-17(7-5-16)10-3-1-2-9(10)11(18)19/h9-10H,1-8H2,(H,18,19)
InChIKeyACHZZXFODYZRIF-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.42
Rot. Bonds3

About 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid (PubChem CID 63075113) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
PubChem CID63075113
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-4-6-17(7-5-16)10-3-1-2-9(10)11(18)19/h9-10H,1-8H2,(H,18,19)
InChIKeyACHZZXFODYZRIF-UHFFFAOYSA-N
XLogP1.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid (CID 63075113) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The InChIKey is ACHZZXFODYZRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-4-6-17(7-5-16)10-3-1-2-9(10)11(18)19/h9-10H,1-8H2,(H,18,19).
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63075113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).