2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol

C5H11F2NO3 — CID 90392213

IUPAC2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol
SMILESOCC(CO)NCC(O)(F)F
InChIInChI=1S/C5H11F2NO3/c6-5(7,11)3-8-4(1-9)2-10/h4,8-11H,1-3H2
InChIKeyANQHBWWEVIMQFB-UHFFFAOYSA-N
MW171.14 g/mol
LogP-1.49
Rot. Bonds5

About 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol

2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol (PubChem CID 90392213) has the molecular formula C5H11F2NO3 and a molecular weight of 171.14 g/mol. Its IUPAC name is 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol
PubChem CID90392213
Molecular FormulaC5H11F2NO3
Molecular Weight171.14 g/mol
Exact Mass171.07
IUPAC Name2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol
SMILESOCC(CO)NCC(O)(F)F
InChIInChI=1S/C5H11F2NO3/c6-5(7,11)3-8-4(1-9)2-10/h4,8-11H,1-3H2
InChIKeyANQHBWWEVIMQFB-UHFFFAOYSA-N
XLogP-1.49
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol (CID 90392213) is 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol is OCC(CO)NCC(O)(F)F.
What is the InChIKey of 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol?
The InChIKey is ANQHBWWEVIMQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO3/c6-5(7,11)3-8-4(1-9)2-10/h4,8-11H,1-3H2.
What are the key properties of 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol?
2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol has a molecular weight of 171.14 g/mol, XLogP of -1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-2-hydroxyethyl)amino]propane-1,3-diol is sourced from PubChem (CID 90392213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).