6-(4,4,4-trifluorobutoxy)hexan-1-amine

C10H20F3NO — CID 82791765

IUPAC6-(4,4,4-trifluorobutoxy)hexan-1-amine
SMILESNCCCCCCOCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c11-10(12,13)6-5-9-15-8-4-2-1-3-7-14/h1-9,14H2
InChIKeyNBKLVYGVNQERGG-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.86
Rot. Bonds9

About 6-(4,4,4-trifluorobutoxy)hexan-1-amine

6-(4,4,4-trifluorobutoxy)hexan-1-amine (PubChem CID 82791765) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-(4,4,4-trifluorobutoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(4,4,4-trifluorobutoxy)hexan-1-amine
PubChem CID82791765
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name6-(4,4,4-trifluorobutoxy)hexan-1-amine
SMILESNCCCCCCOCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c11-10(12,13)6-5-9-15-8-4-2-1-3-7-14/h1-9,14H2
InChIKeyNBKLVYGVNQERGG-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
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 6-(4,4,4-trifluorobutoxy)hexan-1-amine?
The IUPAC name of 6-(4,4,4-trifluorobutoxy)hexan-1-amine (CID 82791765) is 6-(4,4,4-trifluorobutoxy)hexan-1-amine.
What is the SMILES notation for 6-(4,4,4-trifluorobutoxy)hexan-1-amine?
The canonical SMILES for 6-(4,4,4-trifluorobutoxy)hexan-1-amine is NCCCCCCOCCCC(F)(F)F.
What is the InChIKey of 6-(4,4,4-trifluorobutoxy)hexan-1-amine?
The InChIKey is NBKLVYGVNQERGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c11-10(12,13)6-5-9-15-8-4-2-1-3-7-14/h1-9,14H2.
What are the key properties of 6-(4,4,4-trifluorobutoxy)hexan-1-amine?
6-(4,4,4-trifluorobutoxy)hexan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluorobutoxy)hexan-1-amine is sourced from PubChem (CID 82791765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).