N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide

C14H20F6N2O3 — CID 58152553

IUPACN-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)N(CCCCCC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H20F6N2O3/c1-10(23)22(9-5-7-21-12(25)14(18,19)20)8-4-2-3-6-11(24)13(15,16)17/h2-9H2,1H3,(H,21,25)
InChIKeyWNSZOVQRRWCFEH-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.60
Rot. Bonds10

About N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 58152553) has the molecular formula C14H20F6N2O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID58152553
Molecular FormulaC14H20F6N2O3
Molecular Weight378.31 g/mol
Exact Mass378.14
IUPAC NameN-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)N(CCCCCC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H20F6N2O3/c1-10(23)22(9-5-7-21-12(25)14(18,19)20)8-4-2-3-6-11(24)13(15,16)17/h2-9H2,1H3,(H,21,25)
InChIKeyWNSZOVQRRWCFEH-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 3021063
N-dimethyl ammonio propyl-perfluorooctane amide
CID 15579283
3-(Pentadecafluorooctanoylamino)propyltrimethylaminium
CID 15579285
N-[3-(Methylamino)propyl]perfluorooctanamide
CID 53722673
(3-Azaniumylpropyl)(7,7,7-trifluoro-6-oxoheptyl)azanium (1)
CID 91937855
Perfluorodecane amido amine
CID 14496532
N,N,N-trimethyl-3-((perfluorooctanoyl)amino)-1-propanaminium chloride
CID 20441713
N-[3-(Dimethylamino)propyl]-perfluorohexanamide
CID 139596925
7-[(3-Aminopropyl)amino]-1,1,1-trifluoroheptan-2-one
CID 71726574
N,N'-(Propane-1,3-diyl)bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide)
CID 3746335
N,N'-bis(Perfluorononanoyl)1,12-dodecandiamine
CID 4049229
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4166702

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide (CID 58152553) is N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide is CC(=O)N(CCCCCC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is WNSZOVQRRWCFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6N2O3/c1-10(23)22(9-5-7-21-12(25)14(18,19)20)8-4-2-3-6-11(24)13(15,16)17/h2-9H2,1H3,(H,21,25).
What are the key properties of N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 378.31 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58152553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).