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

C6H13F3N2O — CID 118190317

IUPAC(2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
SMILESCNCCNC[C@H](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/t5-/m0/s1
InChIKeyAIQVAUQWVRKJQL-YFKPBYRVSA-N
MW186.18 g/mol
LogP-0.28
Rot. Bonds5

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

(2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol (PubChem CID 118190317) has the molecular formula C6H13F3N2O and a molecular weight of 186.18 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
PubChem CID118190317
Molecular FormulaC6H13F3N2O
Molecular Weight186.18 g/mol
Exact Mass186.10
IUPAC Name(2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
SMILESCNCCNC[C@H](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/t5-/m0/s1
InChIKeyAIQVAUQWVRKJQL-YFKPBYRVSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol (CID 118190317) is (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol is CNCCNC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol?
The InChIKey is AIQVAUQWVRKJQL-YFKPBYRVSA-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/t5-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol?
(2S)-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 (2S)-1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 118190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).