3-(4,4,4-trifluorobutoxy)propan-1-amine

C7H14F3NO — CID 58684367

IUPAC3-(4,4,4-trifluorobutoxy)propan-1-amine
SMILESNCCCOCCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c8-7(9,10)3-1-5-12-6-2-4-11/h1-6,11H2
InChIKeyYLCNLZWICTVMBB-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.69
Rot. Bonds6

About 3-(4,4,4-trifluorobutoxy)propan-1-amine

3-(4,4,4-trifluorobutoxy)propan-1-amine (PubChem CID 58684367) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutoxy)propan-1-amine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutoxy)propan-1-amine
PubChem CID58684367
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name3-(4,4,4-trifluorobutoxy)propan-1-amine
SMILESNCCCOCCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c8-7(9,10)3-1-5-12-6-2-4-11/h1-6,11H2
InChIKeyYLCNLZWICTVMBB-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.69
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 3-(4,4,4-trifluorobutoxy)propan-1-amine?
The IUPAC name of 3-(4,4,4-trifluorobutoxy)propan-1-amine (CID 58684367) is 3-(4,4,4-trifluorobutoxy)propan-1-amine.
What is the SMILES notation for 3-(4,4,4-trifluorobutoxy)propan-1-amine?
The canonical SMILES for 3-(4,4,4-trifluorobutoxy)propan-1-amine is NCCCOCCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutoxy)propan-1-amine?
The InChIKey is YLCNLZWICTVMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c8-7(9,10)3-1-5-12-6-2-4-11/h1-6,11H2.
What are the key properties of 3-(4,4,4-trifluorobutoxy)propan-1-amine?
3-(4,4,4-trifluorobutoxy)propan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutoxy)propan-1-amine is sourced from PubChem (CID 58684367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).