1,1,1-trifluoro-3,3-dimethoxypropan-2-amine

C5H10F3NO2 — CID 55283429

IUPAC1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
SMILESCOC(OC)C(N)C(F)(F)F
InChIInChI=1S/C5H10F3NO2/c1-10-4(11-2)3(9)5(6,7)8/h3-4H,9H2,1-2H3
InChIKeyFCVFYOPROSLUQR-UHFFFAOYSA-N
MW173.13 g/mol
LogP0.49
Rot. Bonds3

About 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine

1,1,1-trifluoro-3,3-dimethoxypropan-2-amine (PubChem CID 55283429) has the molecular formula C5H10F3NO2 and a molecular weight of 173.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
PubChem CID55283429
Molecular FormulaC5H10F3NO2
Molecular Weight173.13 g/mol
Exact Mass173.07
IUPAC Name1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
SMILESCOC(OC)C(N)C(F)(F)F
InChIInChI=1S/C5H10F3NO2/c1-10-4(11-2)3(9)5(6,7)8/h3-4H,9H2,1-2H3
InChIKeyFCVFYOPROSLUQR-UHFFFAOYSA-N
XLogP0.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine (CID 55283429) is 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine is COC(OC)C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine?
The InChIKey is FCVFYOPROSLUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2/c1-10-4(11-2)3(9)5(6,7)8/h3-4H,9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine?
1,1,1-trifluoro-3,3-dimethoxypropan-2-amine has a molecular weight of 173.13 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-dimethoxypropan-2-amine is sourced from PubChem (CID 55283429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).