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

C9H17F3N2O2 — CID 3760585

IUPAC1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol
SMILESOC(CNCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)8(15)7-13-1-2-14-3-5-16-6-4-14/h8,13,15H,1-7H2
InChIKeyUIZUPHKRPBPSQO-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.17
Rot. Bonds5

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

1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol (PubChem CID 3760585) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol
PubChem CID3760585
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol
SMILESOC(CNCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)8(15)7-13-1-2-14-3-5-16-6-4-14/h8,13,15H,1-7H2
InChIKeyUIZUPHKRPBPSQO-UHFFFAOYSA-N
XLogP-0.17
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.17
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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Related Compounds

1-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 53590537
1,1,1,3,3,3-Hexafluoro-2-(2-morpholin-4-ylethylamino)propan-2-ol
CID 101451071
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
1,1,1-Trifluoro-3-(piperazin-1-yl)propan-2-ol
CID 4690691
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 29005203
1-Piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 65449828
1,1,3-Trifluoro-3-piperazin-1-ylpropan-2-ol
CID 89155713
1-Piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol
CID 118166098
1-Piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol
CID 118166134
(2R)-1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 126653245
1-[2-Butoxy-3-(trifluoromethoxy)propyl]piperazine
CID 126669210
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol
CID 167166940

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol (CID 3760585) is 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol is OC(CNCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol?
The InChIKey is UIZUPHKRPBPSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c10-9(11,12)8(15)7-13-1-2-14-3-5-16-6-4-14/h8,13,15H,1-7H2.
What are the key properties of 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol?
1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol has a molecular weight of 242.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-morpholin-4-ylethylamino)propan-2-ol is sourced from PubChem (CID 3760585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).