N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride

C4H8ClF4N — CID 105439804

IUPACN-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.FC(F)CNCC(F)F
InChIInChI=1S/C4H7F4N.ClH/c5-3(6)1-9-2-4(7)8;/h3-4,9H,1-2H2;1H
InChIKeyVIRUMIQXLHCCAG-UHFFFAOYSA-N
MW181.56 g/mol
LogP1.53
Rot. Bonds4

About N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride

N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 105439804) has the molecular formula C4H8ClF4N and a molecular weight of 181.56 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID105439804
Molecular FormulaC4H8ClF4N
Molecular Weight181.56 g/mol
Exact Mass181.03
IUPAC NameN-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.FC(F)CNCC(F)F
InChIInChI=1S/C4H7F4N.ClH/c5-3(6)1-9-2-4(7)8;/h3-4,9H,1-2H2;1H
InChIKeyVIRUMIQXLHCCAG-UHFFFAOYSA-N
XLogP1.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.56
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride (CID 105439804) is N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride is Cl.FC(F)CNCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is VIRUMIQXLHCCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F4N.ClH/c5-3(6)1-9-2-4(7)8;/h3-4,9H,1-2H2;1H.
What are the key properties of N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride?
N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 181.56 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 105439804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).