N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide

C11H17F3N2O2 — CID 15484913

IUPACN-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-2-9(17)15-7-5-3-4-6-8-16-10(18)11(12,13)14/h2H,1,3-8H2,(H,15,17)(H,16,18)
InChIKeyPPSMJZHSDCFBJH-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.53
Rot. Bonds8

About N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide

N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide (PubChem CID 15484913) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide
PubChem CID15484913
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-2-9(17)15-7-5-3-4-6-8-16-10(18)11(12,13)14/h2H,1,3-8H2,(H,15,17)(H,16,18)
InChIKeyPPSMJZHSDCFBJH-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide?
The IUPAC name of N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide (CID 15484913) is N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide.
What is the SMILES notation for N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide?
The canonical SMILES for N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide is C=CC(=O)NCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide?
The InChIKey is PPSMJZHSDCFBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-2-9(17)15-7-5-3-4-6-8-16-10(18)11(12,13)14/h2H,1,3-8H2,(H,15,17)(H,16,18).
What are the key properties of N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide?
N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide has a molecular weight of 266.26 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide is sourced from PubChem (CID 15484913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).