1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol

C11H22F3NO3 — CID 60632595

IUPAC1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNCC(F)(F)F
InChIInChI=1S/C11H22F3NO3/c1-2-3-4-17-5-6-18-8-10(16)7-15-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyKNYLLDNZCOSPAH-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.33
Rot. Bonds11

About 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol

1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60632595) has the molecular formula C11H22F3NO3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60632595
Molecular FormulaC11H22F3NO3
Molecular Weight273.29 g/mol
Exact Mass273.16
IUPAC Name1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNCC(F)(F)F
InChIInChI=1S/C11H22F3NO3/c1-2-3-4-17-5-6-18-8-10(16)7-15-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyKNYLLDNZCOSPAH-UHFFFAOYSA-N
XLogP1.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60632595) is 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol is CCCCOCCOCC(O)CNCC(F)(F)F.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is KNYLLDNZCOSPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3/c1-2-3-4-17-5-6-18-8-10(16)7-15-9-11(12,13)14/h10,15-16H,2-9H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 273.29 g/mol, XLogP of 1.33, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60632595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).