1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid

C11H15F4NO3 — CID 106290398

IUPAC1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCC(F)(F)C(F)F
InChIInChI=1S/C11H15F4NO3/c12-8(13)11(14,15)6-16-7(17)5-10(9(18)19)3-1-2-4-10/h8H,1-6H2,(H,16,17)(H,18,19)
InChIKeyZKIIFTGTVJUOHP-UHFFFAOYSA-N
MW285.24 g/mol
LogP2.04
Rot. Bonds6

About 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 106290398) has the molecular formula C11H15F4NO3 and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID106290398
Molecular FormulaC11H15F4NO3
Molecular Weight285.24 g/mol
Exact Mass285.10
IUPAC Name1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCC(F)(F)C(F)F
InChIInChI=1S/C11H15F4NO3/c12-8(13)11(14,15)6-16-7(17)5-10(9(18)19)3-1-2-4-10/h8H,1-6H2,(H,16,17)(H,18,19)
InChIKeyZKIIFTGTVJUOHP-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid (CID 106290398) is 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCC(F)(F)C(F)F.
What is the InChIKey of 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZKIIFTGTVJUOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4NO3/c12-8(13)11(14,15)6-16-7(17)5-10(9(18)19)3-1-2-4-10/h8H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 285.24 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,3,3-tetrafluoropropylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106290398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).