1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol

C9H14F6N2O2 — CID 101451071

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol
SMILESOC(NCCN1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6N2O2/c10-8(11,12)7(18,9(13,14)15)16-1-2-17-3-5-19-6-4-17/h16,18H,1-6H2
InChIKeyHEKJNIDYKSPGAC-UHFFFAOYSA-N
MW296.21 g/mol
LogP0.72
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol (PubChem CID 101451071) has the molecular formula C9H14F6N2O2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol
PubChem CID101451071
Molecular FormulaC9H14F6N2O2
Molecular Weight296.21 g/mol
Exact Mass296.10
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol
SMILESOC(NCCN1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6N2O2/c10-8(11,12)7(18,9(13,14)15)16-1-2-17-3-5-19-6-4-17/h16,18H,1-6H2
InChIKeyHEKJNIDYKSPGAC-UHFFFAOYSA-N
XLogP0.72
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol (CID 101451071) is 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol is OC(NCCN1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol?
The InChIKey is HEKJNIDYKSPGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6N2O2/c10-8(11,12)7(18,9(13,14)15)16-1-2-17-3-5-19-6-4-17/h16,18H,1-6H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol has a molecular weight of 296.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol is sourced from PubChem (CID 101451071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).