2-chloro-2,2-difluoroethanamine;hydrochloride

C2H5Cl2F2N — CID 21298713

IUPAC2-chloro-2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)(F)Cl
InChIInChI=1S/C2H4ClF2N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyPXZDQCNDYUWQGI-UHFFFAOYSA-N
MW151.97 g/mol
LogP1.20
Rot. Bonds1

About 2-chloro-2,2-difluoroethanamine;hydrochloride

2-chloro-2,2-difluoroethanamine;hydrochloride (PubChem CID 21298713) has the molecular formula C2H5Cl2F2N and a molecular weight of 151.97 g/mol. Its IUPAC name is 2-chloro-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-2,2-difluoroethanamine;hydrochloride
PubChem CID21298713
Molecular FormulaC2H5Cl2F2N
Molecular Weight151.97 g/mol
Exact Mass150.98
IUPAC Name2-chloro-2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)(F)Cl
InChIInChI=1S/C2H4ClF2N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyPXZDQCNDYUWQGI-UHFFFAOYSA-N
XLogP1.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.97
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of 2-chloro-2,2-difluoroethanamine;hydrochloride (CID 21298713) is 2-chloro-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for 2-chloro-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for 2-chloro-2,2-difluoroethanamine;hydrochloride is Cl.NCC(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoroethanamine;hydrochloride?
The InChIKey is PXZDQCNDYUWQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClF2N.ClH/c3-2(4,5)1-6;/h1,6H2;1H.
What are the key properties of 2-chloro-2,2-difluoroethanamine;hydrochloride?
2-chloro-2,2-difluoroethanamine;hydrochloride has a molecular weight of 151.97 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 21298713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).