4,4,4-trifluoro-3-octoxybutan-1-amine

C12H24F3NO — CID 43753337

IUPAC4,4,4-trifluoro-3-octoxybutan-1-amine
SMILESCCCCCCCCOC(CCN)C(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-2-3-4-5-6-7-10-17-11(8-9-16)12(13,14)15/h11H,2-10,16H2,1H3
InChIKeyVWKUXBAFKUZZLM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.64
Rot. Bonds10

About 4,4,4-trifluoro-3-octoxybutan-1-amine

4,4,4-trifluoro-3-octoxybutan-1-amine (PubChem CID 43753337) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-octoxybutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-octoxybutan-1-amine
PubChem CID43753337
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name4,4,4-trifluoro-3-octoxybutan-1-amine
SMILESCCCCCCCCOC(CCN)C(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-2-3-4-5-6-7-10-17-11(8-9-16)12(13,14)15/h11H,2-10,16H2,1H3
InChIKeyVWKUXBAFKUZZLM-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.64
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 4,4,4-trifluoro-3-octoxybutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-octoxybutan-1-amine (CID 43753337) is 4,4,4-trifluoro-3-octoxybutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-octoxybutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-octoxybutan-1-amine is CCCCCCCCOC(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-octoxybutan-1-amine?
The InChIKey is VWKUXBAFKUZZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-2-3-4-5-6-7-10-17-11(8-9-16)12(13,14)15/h11H,2-10,16H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-octoxybutan-1-amine?
4,4,4-trifluoro-3-octoxybutan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-octoxybutan-1-amine is sourced from PubChem (CID 43753337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).