cyclopropanamine;hydrochloride;hydrofluoride

C3H9ClFN — CID 174873111

IUPACcyclopropanamine;hydrochloride;hydrofluoride
SMILESCl.F.NC1CC1
InChIInChI=1S/C3H7N.ClH.FH/c4-3-1-2-3;;/h3H,1-2,4H2;2*1H
InChIKeyOUOCTNSVGQSNLP-UHFFFAOYSA-N
MW113.56 g/mol
LogP0.68
Rot. Bonds

About cyclopropanamine;hydrochloride;hydrofluoride

cyclopropanamine;hydrochloride;hydrofluoride (PubChem CID 174873111) has the molecular formula C3H9ClFN and a molecular weight of 113.56 g/mol. Its IUPAC name is cyclopropanamine;hydrochloride;hydrofluoride.

Molecular Properties

Compound Namecyclopropanamine;hydrochloride;hydrofluoride
PubChem CID174873111
Molecular FormulaC3H9ClFN
Molecular Weight113.56 g/mol
Exact Mass113.04
IUPAC Namecyclopropanamine;hydrochloride;hydrofluoride
SMILESCl.F.NC1CC1
InChIInChI=1S/C3H7N.ClH.FH/c4-3-1-2-3;;/h3H,1-2,4H2;2*1H
InChIKeyOUOCTNSVGQSNLP-UHFFFAOYSA-N
XLogP0.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.56
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;hydrochloride;hydrofluoride?
The IUPAC name of cyclopropanamine;hydrochloride;hydrofluoride (CID 174873111) is cyclopropanamine;hydrochloride;hydrofluoride.
What is the SMILES notation for cyclopropanamine;hydrochloride;hydrofluoride?
The canonical SMILES for cyclopropanamine;hydrochloride;hydrofluoride is Cl.F.NC1CC1.
What is the InChIKey of cyclopropanamine;hydrochloride;hydrofluoride?
The InChIKey is OUOCTNSVGQSNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.ClH.FH/c4-3-1-2-3;;/h3H,1-2,4H2;2*1H.
What are the key properties of cyclopropanamine;hydrochloride;hydrofluoride?
cyclopropanamine;hydrochloride;hydrofluoride has a molecular weight of 113.56 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;hydrochloride;hydrofluoride is sourced from PubChem (CID 174873111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).