2-(difluoromethoxy)ethanamine;hydrochloride

C3H8ClF2NO — CID 122446091

IUPAC2-(difluoromethoxy)ethanamine;hydrochloride
SMILESCl.NCCOC(F)F
InChIInChI=1S/C3H7F2NO.ClH/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H
InChIKeyQEOOBHBQKDIZFN-UHFFFAOYSA-N
MW147.55 g/mol
LogP0.61
Rot. Bonds3

About 2-(difluoromethoxy)ethanamine;hydrochloride

2-(difluoromethoxy)ethanamine;hydrochloride (PubChem CID 122446091) has the molecular formula C3H8ClF2NO and a molecular weight of 147.55 g/mol. Its IUPAC name is 2-(difluoromethoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(difluoromethoxy)ethanamine;hydrochloride
PubChem CID122446091
Molecular FormulaC3H8ClF2NO
Molecular Weight147.55 g/mol
Exact Mass147.03
IUPAC Name2-(difluoromethoxy)ethanamine;hydrochloride
SMILESCl.NCCOC(F)F
InChIInChI=1S/C3H7F2NO.ClH/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H
InChIKeyQEOOBHBQKDIZFN-UHFFFAOYSA-N
XLogP0.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.55
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(difluoromethoxy)ethanamine;hydrochloride (CID 122446091) is 2-(difluoromethoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(difluoromethoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(difluoromethoxy)ethanamine;hydrochloride is Cl.NCCOC(F)F.
What is the InChIKey of 2-(difluoromethoxy)ethanamine;hydrochloride?
The InChIKey is QEOOBHBQKDIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO.ClH/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H.
What are the key properties of 2-(difluoromethoxy)ethanamine;hydrochloride?
2-(difluoromethoxy)ethanamine;hydrochloride has a molecular weight of 147.55 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)ethanamine;hydrochloride is sourced from PubChem (CID 122446091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).