2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol

C6H9F6NO — CID 103309777

IUPAC2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol
SMILESOCCNCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c7-5(8,9)4(6(10,11)12)3-13-1-2-14/h4,13-14H,1-3H2
InChIKeyGFRPTUOTKDKQNL-UHFFFAOYSA-N
MW225.13 g/mol
LogP1.31
Rot. Bonds4

About 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol

2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol (PubChem CID 103309777) has the molecular formula C6H9F6NO and a molecular weight of 225.13 g/mol. Its IUPAC name is 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol
PubChem CID103309777
Molecular FormulaC6H9F6NO
Molecular Weight225.13 g/mol
Exact Mass225.06
IUPAC Name2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol
SMILESOCCNCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c7-5(8,9)4(6(10,11)12)3-13-1-2-14/h4,13-14H,1-3H2
InChIKeyGFRPTUOTKDKQNL-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Isobutylamino)ethanol
CID 28264
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2-[(2,2,2-Trifluoroethyl)amino]ethan-1-ol
CID 14513794
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
1-(2,2,2-Trifluoroethylamino)propan-2-ol
CID 43499848
2-[(1,1-Difluoro-2-methylpropan-2-yl)amino]ethan-1-ol
CID 53764457
2-((3-Fluoropropyl)amino)ethan-1-ol
CID 57694932
2-((3,3,3-Trifluoropropyl)amino)ethanol
CID 60684367
2-[(2,2-Difluoroethyl)amino]ethan-1-ol
CID 60922928
1,1,1-Trifluoro-3-[(2-methylpropyl)amino]propan-2-ol
CID 61529835
3-((Cyclopropylmethyl)amino)-1,1,1-trifluoropropan-2-ol
CID 63002017
1,1,1-Trifluoro-3-((2-hydroxyethyl)amino)propan-2-ol
CID 63901469

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol?
The IUPAC name of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol (CID 103309777) is 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol?
The canonical SMILES for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol is OCCNCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol?
The InChIKey is GFRPTUOTKDKQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NO/c7-5(8,9)4(6(10,11)12)3-13-1-2-14/h4,13-14H,1-3H2.
What are the key properties of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol?
2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol has a molecular weight of 225.13 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]ethanol is sourced from PubChem (CID 103309777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).