N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide

C10H16F4N2O2 — CID 3089637

IUPACN-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide
SMILESO=C(NCCCCCCNC(=O)C(F)F)C(F)F
InChIInChI=1S/C10H16F4N2O2/c11-7(12)9(17)15-5-3-1-2-4-6-16-10(18)8(13)14/h7-8H,1-6H2,(H,15,17)(H,16,18)
InChIKeyRDBKPRBFBUQQHG-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.31
Rot. Bonds9

About N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide

N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide (PubChem CID 3089637) has the molecular formula C10H16F4N2O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide
PubChem CID3089637
Molecular FormulaC10H16F4N2O2
Molecular Weight272.24 g/mol
Exact Mass272.11
IUPAC NameN-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide
SMILESO=C(NCCCCCCNC(=O)C(F)F)C(F)F
InChIInChI=1S/C10H16F4N2O2/c11-7(12)9(17)15-5-3-1-2-4-6-16-10(18)8(13)14/h7-8H,1-6H2,(H,15,17)(H,16,18)
InChIKeyRDBKPRBFBUQQHG-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.31
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-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide?
The IUPAC name of N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide (CID 3089637) is N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide is O=C(NCCCCCCNC(=O)C(F)F)C(F)F.
What is the InChIKey of N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide?
The InChIKey is RDBKPRBFBUQQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O2/c11-7(12)9(17)15-5-3-1-2-4-6-16-10(18)8(13)14/h7-8H,1-6H2,(H,15,17)(H,16,18).
What are the key properties of N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide?
N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide has a molecular weight of 272.24 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,2-difluoroacetyl)amino]hexyl]-2,2-difluoroacetamide is sourced from PubChem (CID 3089637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).