2,2-difluoroethanamine;hydrochloride

C2H6ClF2N — CID 18352163

IUPAC2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)F
InChIInChI=1S/C2H5F2N.ClH/c3-2(4)1-5;/h2H,1,5H2;1H
InChIKeyYSVKPVHTHFECBE-UHFFFAOYSA-N
MW117.53 g/mol
LogP0.63
Rot. Bonds1

About 2,2-difluoroethanamine;hydrochloride

2,2-difluoroethanamine;hydrochloride (PubChem CID 18352163) has the molecular formula C2H6ClF2N and a molecular weight of 117.53 g/mol. Its IUPAC name is 2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoroethanamine;hydrochloride
PubChem CID18352163
Molecular FormulaC2H6ClF2N
Molecular Weight117.53 g/mol
Exact Mass117.02
IUPAC Name2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)F
InChIInChI=1S/C2H5F2N.ClH/c3-2(4)1-5;/h2H,1,5H2;1H
InChIKeyYSVKPVHTHFECBE-UHFFFAOYSA-N
XLogP0.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.53
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
Ethanamine, 2,2,2-trifluoro-
CID 9773
3,3,3-Trifluoropropylamine
CID 10001
Ethanamine, 2-fluoro-, hydrochloride
CID 9995
2,2-Difluoroethanamine
CID 136274
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
2,2,2-Trifluoroethylazanium;chloride
CID 10931477
2,2,3,3-Tetrafluoropropan-1-amine hydrochloride
CID 21298755
2,2,3,3,3-Pentafluoropropylamine hydrochloride
CID 25210507
3,3-Difluoropropan-1-amine hydrochloride
CID 50988719
2,2,2-Trifluoroethylazanium
CID 7058078
n-Chloro-2,2,2-trifluoroethylamine
CID 20602968

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethanamine;hydrochloride?
The IUPAC name of 2,2-difluoroethanamine;hydrochloride (CID 18352163) is 2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for 2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for 2,2-difluoroethanamine;hydrochloride is Cl.NCC(F)F.
What is the InChIKey of 2,2-difluoroethanamine;hydrochloride?
The InChIKey is YSVKPVHTHFECBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2N.ClH/c3-2(4)1-5;/h2H,1,5H2;1H.
What are the key properties of 2,2-difluoroethanamine;hydrochloride?
2,2-difluoroethanamine;hydrochloride has a molecular weight of 117.53 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 18352163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).