ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate

C11H17F4NO2 — CID 19622901

IUPACethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(F)(F)C(F)F)C1
InChIInChI=1S/C11H17F4NO2/c1-2-18-9(17)8-4-3-5-16(6-8)7-11(14,15)10(12)13/h8,10H,2-7H2,1H3
InChIKeyGQZUKSBZCSQGTM-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.16
Rot. Bonds5

About ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate

ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate (PubChem CID 19622901) has the molecular formula C11H17F4NO2 and a molecular weight of 271.25 g/mol. Its IUPAC name is ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate
PubChem CID19622901
Molecular FormulaC11H17F4NO2
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Nameethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(F)(F)C(F)F)C1
InChIInChI=1S/C11H17F4NO2/c1-2-18-9(17)8-4-3-5-16(6-8)7-11(14,15)10(12)13/h8,10H,2-7H2,1H3
InChIKeyGQZUKSBZCSQGTM-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate (CID 19622901) is ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(F)(F)C(F)F)C1.
What is the InChIKey of ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate?
The InChIKey is GQZUKSBZCSQGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO2/c1-2-18-9(17)8-4-3-5-16(6-8)7-11(14,15)10(12)13/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate?
ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate has a molecular weight of 271.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,3,3-tetrafluoropropyl)piperidine-3-carboxylate is sourced from PubChem (CID 19622901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).