2-amino-1,1-difluoroethanol

C2H5F2NO — CID 131194137

IUPAC2-amino-1,1-difluoroethanol
SMILESNCC(O)(F)F
InChIInChI=1S/C2H5F2NO/c3-2(4,6)1-5/h6H,1,5H2
InChIKeyHCHABJOKGLBJLE-UHFFFAOYSA-N
MW97.06 g/mol
LogP-0.47
Rot. Bonds1

About 2-amino-1,1-difluoroethanol

2-amino-1,1-difluoroethanol (PubChem CID 131194137) has the molecular formula C2H5F2NO and a molecular weight of 97.06 g/mol. Its IUPAC name is 2-amino-1,1-difluoroethanol.

Molecular Properties

Compound Name2-amino-1,1-difluoroethanol
PubChem CID131194137
Molecular FormulaC2H5F2NO
Molecular Weight97.06 g/mol
Exact Mass97.03
IUPAC Name2-amino-1,1-difluoroethanol
SMILESNCC(O)(F)F
InChIInChI=1S/C2H5F2NO/c3-2(4,6)1-5/h6H,1,5H2
InChIKeyHCHABJOKGLBJLE-UHFFFAOYSA-N
XLogP-0.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.06
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-difluoroethanol?
The IUPAC name of 2-amino-1,1-difluoroethanol (CID 131194137) is 2-amino-1,1-difluoroethanol.
What is the SMILES notation for 2-amino-1,1-difluoroethanol?
The canonical SMILES for 2-amino-1,1-difluoroethanol is NCC(O)(F)F.
What is the InChIKey of 2-amino-1,1-difluoroethanol?
The InChIKey is HCHABJOKGLBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2NO/c3-2(4,6)1-5/h6H,1,5H2.
What are the key properties of 2-amino-1,1-difluoroethanol?
2-amino-1,1-difluoroethanol has a molecular weight of 97.06 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-difluoroethanol is sourced from PubChem (CID 131194137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).