6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide

C11H19F3N2O — CID 55009132

IUPAC6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESNCCCCCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16(9-5-6-9)10(17)4-2-1-3-7-15/h9H,1-8,15H2
InChIKeyGXDOTSQPQPFMJG-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.06
Rot. Bonds7

About 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide

6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 55009132) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID55009132
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESNCCCCCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16(9-5-6-9)10(17)4-2-1-3-7-15/h9H,1-8,15H2
InChIKeyGXDOTSQPQPFMJG-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide (CID 55009132) is 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide is NCCCCCC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is GXDOTSQPQPFMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-16(9-5-6-9)10(17)4-2-1-3-7-15/h9H,1-8,15H2.
What are the key properties of 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide?
6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 252.28 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 55009132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).