(2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol

C10H18F3NO2 — CID 111976153

IUPAC(2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESC=C(C)CN(CCC(F)(F)F)C[C@H](O)CO
InChIInChI=1S/C10H18F3NO2/c1-8(2)5-14(6-9(16)7-15)4-3-10(11,12)13/h9,15-16H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyLIQRFMNYWNCPNZ-VIFPVBQESA-N
MW241.25 g/mol
LogP1.17
Rot. Bonds7

About (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol

(2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (PubChem CID 111976153) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
PubChem CID111976153
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name(2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESC=C(C)CN(CCC(F)(F)F)C[C@H](O)CO
InChIInChI=1S/C10H18F3NO2/c1-8(2)5-14(6-9(16)7-15)4-3-10(11,12)13/h9,15-16H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyLIQRFMNYWNCPNZ-VIFPVBQESA-N
XLogP1.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[Propyl(2,2,2-trifluoroethyl)amino]propane-1,2-diol
CID 81935847
(2S)-3-[2,2-dimethylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 109936014
(2S)-3-[3-methylbut-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976133
(2S)-3-[prop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976136
(2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976139
(2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976154
1-Methoxy-3-[methyl(2-methylprop-2-enyl)amino]propan-2-ol
CID 62015142

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (CID 111976153) is (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is C=C(C)CN(CCC(F)(F)F)C[C@H](O)CO.
What is the InChIKey of (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The InChIKey is LIQRFMNYWNCPNZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(2)5-14(6-9(16)7-15)4-3-10(11,12)13/h9,15-16H,1,3-7H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
(2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol has a molecular weight of 241.25 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-methylprop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is sourced from PubChem (CID 111976153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).