2-(2,2-difluoroethylamino)propane-1,3-diol

C5H11F2NO2 — CID 65314249

IUPAC2-(2,2-difluoroethylamino)propane-1,3-diol
SMILESOCC(CO)NCC(F)F
InChIInChI=1S/C5H11F2NO2/c6-5(7)1-8-4(2-9)3-10/h4-5,8-10H,1-3H2
InChIKeyWCPYUINUDSNBLW-UHFFFAOYSA-N
MW155.14 g/mol
LogP-0.81
Rot. Bonds5

About 2-(2,2-difluoroethylamino)propane-1,3-diol

2-(2,2-difluoroethylamino)propane-1,3-diol (PubChem CID 65314249) has the molecular formula C5H11F2NO2 and a molecular weight of 155.14 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)propane-1,3-diol
PubChem CID65314249
Molecular FormulaC5H11F2NO2
Molecular Weight155.14 g/mol
Exact Mass155.08
IUPAC Name2-(2,2-difluoroethylamino)propane-1,3-diol
SMILESOCC(CO)NCC(F)F
InChIInChI=1S/C5H11F2NO2/c6-5(7)1-8-4(2-9)3-10/h4-5,8-10H,1-3H2
InChIKeyWCPYUINUDSNBLW-UHFFFAOYSA-N
XLogP-0.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)propane-1,3-diol?
The IUPAC name of 2-(2,2-difluoroethylamino)propane-1,3-diol (CID 65314249) is 2-(2,2-difluoroethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(2,2-difluoroethylamino)propane-1,3-diol?
The canonical SMILES for 2-(2,2-difluoroethylamino)propane-1,3-diol is OCC(CO)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)propane-1,3-diol?
The InChIKey is WCPYUINUDSNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2/c6-5(7)1-8-4(2-9)3-10/h4-5,8-10H,1-3H2.
What are the key properties of 2-(2,2-difluoroethylamino)propane-1,3-diol?
2-(2,2-difluoroethylamino)propane-1,3-diol has a molecular weight of 155.14 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)propane-1,3-diol is sourced from PubChem (CID 65314249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).