2-(difluoromethylamino)ethanol

C3H7F2NO — CID 19927070

IUPAC2-(difluoromethylamino)ethanol
SMILESOCCNC(F)F
InChIInChI=1S/C3H7F2NO/c4-3(5)6-1-2-7/h3,6-7H,1-2H2
InChIKeyNJYQVMSQFYWHDP-UHFFFAOYSA-N
MW111.09 g/mol
LogP-0.21
Rot. Bonds3

About 2-(difluoromethylamino)ethanol

2-(difluoromethylamino)ethanol (PubChem CID 19927070) has the molecular formula C3H7F2NO and a molecular weight of 111.09 g/mol. Its IUPAC name is 2-(difluoromethylamino)ethanol.

Molecular Properties

Compound Name2-(difluoromethylamino)ethanol
PubChem CID19927070
Molecular FormulaC3H7F2NO
Molecular Weight111.09 g/mol
Exact Mass111.05
IUPAC Name2-(difluoromethylamino)ethanol
SMILESOCCNC(F)F
InChIInChI=1S/C3H7F2NO/c4-3(5)6-1-2-7/h3,6-7H,1-2H2
InChIKeyNJYQVMSQFYWHDP-UHFFFAOYSA-N
XLogP-0.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.09
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylamino)ethanol?
The IUPAC name of 2-(difluoromethylamino)ethanol (CID 19927070) is 2-(difluoromethylamino)ethanol.
What is the SMILES notation for 2-(difluoromethylamino)ethanol?
The canonical SMILES for 2-(difluoromethylamino)ethanol is OCCNC(F)F.
What is the InChIKey of 2-(difluoromethylamino)ethanol?
The InChIKey is NJYQVMSQFYWHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO/c4-3(5)6-1-2-7/h3,6-7H,1-2H2.
What are the key properties of 2-(difluoromethylamino)ethanol?
2-(difluoromethylamino)ethanol has a molecular weight of 111.09 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylamino)ethanol is sourced from PubChem (CID 19927070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).