1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol

C6H13F3N2O — CID 123282561

IUPAC1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
SMILESCNCCNCC(O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O/c1-10-2-3-11-4-5(12)6(7,8)9/h5,10-12H,2-4H2,1H3
InChIKeyAIQVAUQWVRKJQL-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.28
Rot. Bonds5

About 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol (PubChem CID 123282561) has the molecular formula C6H13F3N2O and a molecular weight of 186.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
PubChem CID123282561
Molecular FormulaC6H13F3N2O
Molecular Weight186.18 g/mol
Exact Mass186.10
IUPAC Name1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
SMILESCNCCNCC(O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O/c1-10-2-3-11-4-5(12)6(7,8)9/h5,10-12H,2-4H2,1H3
InChIKeyAIQVAUQWVRKJQL-UHFFFAOYSA-N
XLogP-0.28
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-3-(pentylamino)propan-2-ol
CID 63900220
1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518334
1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760283
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
1,1,1-trifluoro-6-(methylamino)hexan-2-ol
CID 84732703
3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
CID 115592465
4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
CID 63900234
1,1,1-trifluoro-3-(hydroxyamino)propan-2-ol
CID 18071378
1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63900457
3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901066
4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 65120554
1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 63226283

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol (CID 123282561) is 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol is CNCCNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol?
The InChIKey is AIQVAUQWVRKJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O/c1-10-2-3-11-4-5(12)6(7,8)9/h5,10-12H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol has a molecular weight of 186.18 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 123282561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).