1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol

C7H14F3NO2 — CID 2768007

IUPAC1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol
SMILESCOCCCNCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-13-4-2-3-11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyHHTGOLFGJZQUDS-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.54
Rot. Bonds6

About 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol

1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol (PubChem CID 2768007) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol
PubChem CID2768007
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol
SMILESCOCCCNCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-13-4-2-3-11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyHHTGOLFGJZQUDS-UHFFFAOYSA-N
XLogP0.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.54
H-Bond Donors ≤ 52
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 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol (CID 2768007) is 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol is COCCCNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol?
The InChIKey is HHTGOLFGJZQUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-13-4-2-3-11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol?
1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol has a molecular weight of 201.19 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methoxypropylamino)propan-2-ol is sourced from PubChem (CID 2768007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).