5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide

C11H19F3N2O2 — CID 113327532

IUPAC5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCCCCC(F)(F)F)O1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)5-1-2-6-16-10(17)9-4-3-8(7-15)18-9/h8-9H,1-7,15H2,(H,16,17)
InChIKeyMLKRIXDTCOOQEC-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds6

About 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide

5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide (PubChem CID 113327532) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide
PubChem CID113327532
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCCCCC(F)(F)F)O1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)5-1-2-6-16-10(17)9-4-3-8(7-15)18-9/h8-9H,1-7,15H2,(H,16,17)
InChIKeyMLKRIXDTCOOQEC-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide (CID 113327532) is 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide is NCC1CCC(C(=O)NCCCCC(F)(F)F)O1.
What is the InChIKey of 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide?
The InChIKey is MLKRIXDTCOOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)5-1-2-6-16-10(17)9-4-3-8(7-15)18-9/h8-9H,1-7,15H2,(H,16,17).
What are the key properties of 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5,5,5-trifluoropentyl)oxolane-2-carboxamide is sourced from PubChem (CID 113327532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).