N-(6-aminohexyl)-2,2,2-trifluoroacetamide

C8H15F3N2O — CID 11805999

IUPACN-(6-aminohexyl)-2,2,2-trifluoroacetamide
SMILESNCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(14)13-6-4-2-1-3-5-12/h1-6,12H2,(H,13,14)
InChIKeyQHXNVWBGJVVEOF-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.18
Rot. Bonds6

About N-(6-aminohexyl)-2,2,2-trifluoroacetamide

N-(6-aminohexyl)-2,2,2-trifluoroacetamide (PubChem CID 11805999) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-(6-aminohexyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2,2,2-trifluoroacetamide
PubChem CID11805999
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-(6-aminohexyl)-2,2,2-trifluoroacetamide
SMILESNCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(14)13-6-4-2-1-3-5-12/h1-6,12H2,(H,13,14)
InChIKeyQHXNVWBGJVVEOF-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.18
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-aminohexyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-aminohexyl)-2,2,2-trifluoroacetamide (CID 11805999) is N-(6-aminohexyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-aminohexyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-aminohexyl)-2,2,2-trifluoroacetamide is NCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(6-aminohexyl)-2,2,2-trifluoroacetamide?
The InChIKey is QHXNVWBGJVVEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7(14)13-6-4-2-1-3-5-12/h1-6,12H2,(H,13,14).
What are the key properties of N-(6-aminohexyl)-2,2,2-trifluoroacetamide?
N-(6-aminohexyl)-2,2,2-trifluoroacetamide has a molecular weight of 212.21 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11805999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).