3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

C9H16F3NO2 — CID 104760690

IUPAC3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCOC1(CNCCC(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO2/c1-14-8(3-5-15-7-8)6-13-4-2-9(10,11)12/h13H,2-7H2,1H3
InChIKeyBFPYAAUWGAESRV-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.33
Rot. Bonds5

About 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (PubChem CID 104760690) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
PubChem CID104760690
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCOC1(CNCCC(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO2/c1-14-8(3-5-15-7-8)6-13-4-2-9(10,11)12/h13H,2-7H2,1H3
InChIKeyBFPYAAUWGAESRV-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (CID 104760690) is 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is COC1(CNCCC(F)(F)F)CCOC1.
What is the InChIKey of 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The InChIKey is BFPYAAUWGAESRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-14-8(3-5-15-7-8)6-13-4-2-9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104760690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).