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

C10H20F3NO2 — CID 111976139

IUPAC(2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESCC(C)CN(CCC(F)(F)F)C[C@H](O)CO
InChIInChI=1S/C10H20F3NO2/c1-8(2)5-14(6-9(16)7-15)4-3-10(11,12)13/h8-9,15-16H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyMFTCPOPDPMICBU-VIFPVBQESA-N
MW243.27 g/mol
LogP1.25
Rot. Bonds7

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

(2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (PubChem CID 111976139) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
PubChem CID111976139
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name(2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESCC(C)CN(CCC(F)(F)F)C[C@H](O)CO
InChIInChI=1S/C10H20F3NO2/c1-8(2)5-14(6-9(16)7-15)4-3-10(11,12)13/h8-9,15-16H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyMFTCPOPDPMICBU-VIFPVBQESA-N
XLogP1.25
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (CID 111976139) is (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is CC(C)CN(CCC(F)(F)F)C[C@H](O)CO.
What is the InChIKey of (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The InChIKey is MFTCPOPDPMICBU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-8(2)5-14(6-9(16)7-15)4-3-10(11,12)13/h8-9,15-16H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
(2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol has a molecular weight of 243.27 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is sourced from PubChem (CID 111976139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).