N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

C11H19F3N2O2 — CID 87322372

IUPACN-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCCCNC(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-7-15-9(17)6-4-3-5-8-16-10(18)11(12,13)14/h2-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySEGGXWKLSQFZQT-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.75
Rot. Bonds8

About N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 87322372) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
PubChem CID87322372
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCCCNC(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-7-15-9(17)6-4-3-5-8-16-10(18)11(12,13)14/h2-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySEGGXWKLSQFZQT-UHFFFAOYSA-N
XLogP1.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
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 N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 87322372) is N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is CCCNC(=O)CCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is SEGGXWKLSQFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-7-15-9(17)6-4-3-5-8-16-10(18)11(12,13)14/h2-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 268.28 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 87322372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).