3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol

C7H15F3N2O — CID 63902289

IUPAC3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)CCNCC(O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-12(2)4-3-11-5-6(13)7(8,9)10/h6,11,13H,3-5H2,1-2H3
InChIKeyOOQFFYBJXAELEG-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.06
Rot. Bonds5

About 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63902289) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63902289
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC Name3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)CCNCC(O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-12(2)4-3-11-5-6(13)7(8,9)10/h6,11,13H,3-5H2,1-2H3
InChIKeyOOQFFYBJXAELEG-UHFFFAOYSA-N
XLogP0.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 63902289) is 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol is CN(C)CCNCC(O)C(F)(F)F.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OOQFFYBJXAELEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O/c1-12(2)4-3-11-5-6(13)7(8,9)10/h6,11,13H,3-5H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 200.20 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63902289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).