methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate

C10H12F5NO3 — CID 588490

IUPACmethyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F5NO3/c1-19-7(17)6-2-4-16(5-3-6)8(18)9(11,12)10(13,14)15/h6H,2-5H2,1H3
InChIKeyNOPXRLYQHSROMJ-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.60
Rot. Bonds2

About methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate

methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate (PubChem CID 588490) has the molecular formula C10H12F5NO3 and a molecular weight of 289.20 g/mol. Its IUPAC name is methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate
PubChem CID588490
Molecular FormulaC10H12F5NO3
Molecular Weight289.20 g/mol
Exact Mass289.07
IUPAC Namemethyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F5NO3/c1-19-7(17)6-2-4-16(5-3-6)8(18)9(11,12)10(13,14)15/h6H,2-5H2,1H3
InChIKeyNOPXRLYQHSROMJ-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.60
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 methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate (CID 588490) is methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate?
The InChIKey is NOPXRLYQHSROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5NO3/c1-19-7(17)6-2-4-16(5-3-6)8(18)9(11,12)10(13,14)15/h6H,2-5H2,1H3.
What are the key properties of methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate?
methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate has a molecular weight of 289.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2,3,3,3-pentafluoropropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 588490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).