6,6,6-trifluorohexan-1-amine

C6H12F3N — CID 14407047

IUPAC6,6,6-trifluorohexan-1-amine
SMILESNCCCCCC(F)(F)F
InChIInChI=1S/C6H12F3N/c7-6(8,9)4-2-1-3-5-10/h1-5,10H2
InChIKeyGXTJUBNUNCEDMG-UHFFFAOYSA-N
MW155.16 g/mol
LogP2.07
Rot. Bonds4

About 6,6,6-trifluorohexan-1-amine

6,6,6-trifluorohexan-1-amine (PubChem CID 14407047) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 6,6,6-trifluorohexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluorohexan-1-amine
PubChem CID14407047
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name6,6,6-trifluorohexan-1-amine
SMILESNCCCCCC(F)(F)F
InChIInChI=1S/C6H12F3N/c7-6(8,9)4-2-1-3-5-10/h1-5,10H2
InChIKeyGXTJUBNUNCEDMG-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6,6,6-trifluorohexan-1-amine?
The IUPAC name of 6,6,6-trifluorohexan-1-amine (CID 14407047) is 6,6,6-trifluorohexan-1-amine.
What is the SMILES notation for 6,6,6-trifluorohexan-1-amine?
The canonical SMILES for 6,6,6-trifluorohexan-1-amine is NCCCCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohexan-1-amine?
The InChIKey is GXTJUBNUNCEDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c7-6(8,9)4-2-1-3-5-10/h1-5,10H2.
What are the key properties of 6,6,6-trifluorohexan-1-amine?
6,6,6-trifluorohexan-1-amine has a molecular weight of 155.16 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohexan-1-amine is sourced from PubChem (CID 14407047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).