N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride

C4H9ClF2N2O — CID 44592974

IUPACN-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride
SMILESCl.NCCNC(=O)C(F)F
InChIInChI=1S/C4H8F2N2O.ClH/c5-3(6)4(9)8-2-1-7;/h3H,1-2,7H2,(H,8,9);1H
InChIKeyKWZIATUBOCNLNU-UHFFFAOYSA-N
MW174.58 g/mol
LogP-0.25
Rot. Bonds3

About N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride

N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride (PubChem CID 44592974) has the molecular formula C4H9ClF2N2O and a molecular weight of 174.58 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride
PubChem CID44592974
Molecular FormulaC4H9ClF2N2O
Molecular Weight174.58 g/mol
Exact Mass174.04
IUPAC NameN-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride
SMILESCl.NCCNC(=O)C(F)F
InChIInChI=1S/C4H8F2N2O.ClH/c5-3(6)4(9)8-2-1-7;/h3H,1-2,7H2,(H,8,9);1H
InChIKeyKWZIATUBOCNLNU-UHFFFAOYSA-N
XLogP-0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride (CID 44592974) is N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride is Cl.NCCNC(=O)C(F)F.
What is the InChIKey of N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride?
The InChIKey is KWZIATUBOCNLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O.ClH/c5-3(6)4(9)8-2-1-7;/h3H,1-2,7H2,(H,8,9);1H.
What are the key properties of N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride?
N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride has a molecular weight of 174.58 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride is sourced from PubChem (CID 44592974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).