3-(trifluoromethoxy)propan-1-amine

C4H8F3NO — CID 64984851

IUPAC3-(trifluoromethoxy)propan-1-amine
SMILESNCCCOC(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)9-3-1-2-8/h1-3,8H2
InChIKeyIDEVNGSFUOMYFH-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.87
Rot. Bonds3

About 3-(trifluoromethoxy)propan-1-amine

3-(trifluoromethoxy)propan-1-amine (PubChem CID 64984851) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 3-(trifluoromethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(trifluoromethoxy)propan-1-amine
PubChem CID64984851
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name3-(trifluoromethoxy)propan-1-amine
SMILESNCCCOC(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)9-3-1-2-8/h1-3,8H2
InChIKeyIDEVNGSFUOMYFH-UHFFFAOYSA-N
XLogP0.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.87
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-(trifluoromethoxy)propan-1-amine?
The IUPAC name of 3-(trifluoromethoxy)propan-1-amine (CID 64984851) is 3-(trifluoromethoxy)propan-1-amine.
What is the SMILES notation for 3-(trifluoromethoxy)propan-1-amine?
The canonical SMILES for 3-(trifluoromethoxy)propan-1-amine is NCCCOC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)propan-1-amine?
The InChIKey is IDEVNGSFUOMYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c5-4(6,7)9-3-1-2-8/h1-3,8H2.
What are the key properties of 3-(trifluoromethoxy)propan-1-amine?
3-(trifluoromethoxy)propan-1-amine has a molecular weight of 143.11 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)propan-1-amine is sourced from PubChem (CID 64984851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).