8,8,8-trifluorooctan-1-amine

C8H16F3N — CID 154161219

IUPAC8,8,8-trifluorooctan-1-amine
SMILESNCCCCCCCC(F)(F)F
InChIInChI=1S/C8H16F3N/c9-8(10,11)6-4-2-1-3-5-7-12/h1-7,12H2
InChIKeyKRZNTDYMSHJWQI-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.85
Rot. Bonds6

About 8,8,8-trifluorooctan-1-amine

8,8,8-trifluorooctan-1-amine (PubChem CID 154161219) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is 8,8,8-trifluorooctan-1-amine.

Molecular Properties

Compound Name8,8,8-trifluorooctan-1-amine
PubChem CID154161219
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name8,8,8-trifluorooctan-1-amine
SMILESNCCCCCCCC(F)(F)F
InChIInChI=1S/C8H16F3N/c9-8(10,11)6-4-2-1-3-5-7-12/h1-7,12H2
InChIKeyKRZNTDYMSHJWQI-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.85
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 8,8,8-trifluorooctan-1-amine?
The IUPAC name of 8,8,8-trifluorooctan-1-amine (CID 154161219) is 8,8,8-trifluorooctan-1-amine.
What is the SMILES notation for 8,8,8-trifluorooctan-1-amine?
The canonical SMILES for 8,8,8-trifluorooctan-1-amine is NCCCCCCCC(F)(F)F.
What is the InChIKey of 8,8,8-trifluorooctan-1-amine?
The InChIKey is KRZNTDYMSHJWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c9-8(10,11)6-4-2-1-3-5-7-12/h1-7,12H2.
What are the key properties of 8,8,8-trifluorooctan-1-amine?
8,8,8-trifluorooctan-1-amine has a molecular weight of 183.22 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluorooctan-1-amine is sourced from PubChem (CID 154161219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).