1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C8H16F3NO2 — CID 43166140

IUPAC1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCCCNCC(O)COCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-2-3-12-4-7(13)5-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyGSUSWKIAGGQSSN-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.93
Rot. Bonds7

About 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 43166140) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID43166140
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCCCNCC(O)COCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-2-3-12-4-7(13)5-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyGSUSWKIAGGQSSN-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.93
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-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 43166140) is 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol is CCCNCC(O)COCC(F)(F)F.
What is the InChIKey of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is GSUSWKIAGGQSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-2-3-12-4-7(13)5-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 43166140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).