1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol

C9H19F3N2O2 — CID 82722387

IUPAC1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
SMILESCCN(CC)CC(O)CNOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-3-14(4-2)6-8(15)5-13-16-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyRUVOASIQUJDVFT-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.77
Rot. Bonds8

About 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol

1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol (PubChem CID 82722387) has the molecular formula C9H19F3N2O2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
PubChem CID82722387
Molecular FormulaC9H19F3N2O2
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC Name1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
SMILESCCN(CC)CC(O)CNOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-3-14(4-2)6-8(15)5-13-16-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyRUVOASIQUJDVFT-UHFFFAOYSA-N
XLogP0.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol (CID 82722387) is 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol is CCN(CC)CC(O)CNOCC(F)(F)F.
What is the InChIKey of 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol?
The InChIKey is RUVOASIQUJDVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2/c1-3-14(4-2)6-8(15)5-13-16-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol?
1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol has a molecular weight of 244.26 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol is sourced from PubChem (CID 82722387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).