2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide

C10H14F6N2O2 — CID 5052022

IUPAC2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide
SMILESO=C(NCCCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2/c11-9(12,13)7(19)17-5-3-1-2-4-6-18-8(20)10(14,15)16/h1-6H2,(H,17,19)(H,18,20)
InChIKeySROHYHMPDSABTC-UHFFFAOYSA-N
MW308.22 g/mol
LogP1.90
Rot. Bonds7

About 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide

2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide (PubChem CID 5052022) has the molecular formula C10H14F6N2O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide
PubChem CID5052022
Molecular FormulaC10H14F6N2O2
Molecular Weight308.22 g/mol
Exact Mass308.10
IUPAC Name2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide
SMILESO=C(NCCCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2/c11-9(12,13)7(19)17-5-3-1-2-4-6-18-8(20)10(14,15)16/h1-6H2,(H,17,19)(H,18,20)
InChIKeySROHYHMPDSABTC-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 51.90
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 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide (CID 5052022) is 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide is O=C(NCCCCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide?
The InChIKey is SROHYHMPDSABTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O2/c11-9(12,13)7(19)17-5-3-1-2-4-6-18-8(20)10(14,15)16/h1-6H2,(H,17,19)(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide?
2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide has a molecular weight of 308.22 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]acetamide is sourced from PubChem (CID 5052022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).